| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| June 21st, 2008 | 10 | No |
Popular Name: 1-Methyl-3-Nitro-1-NitroSOGUANIDINE 1-Methyl-3-Nitro-1-NitroSOGUANIDINE
Find On: PubMed — Wikipedia — Google
CAS Number: 70-25-7
1-Methyl-3-nitro-1-nitrosoguanidine (wetted with ca. 50% Water, containing 5g on a dry weight basis)
N-methyl-N'-nitro-N-nitrosoguanidine
| Type pH range | xlogP | Des A‑Pol Apolar desolvation (kcal/mol) | Des Pol Polar desolvation (kcal/mol) | H Don H-bond donors | H Acc H-bond acceptors | Chg Net charge | tPSA (Ų) | MWT Molecular weight (g/mol) | RB Rotatable bonds | DL |
|---|---|---|---|---|---|---|---|---|---|---|
| Ref Reference (pH 7) | -0.78 | 1.9 | -32.71 | 1 | 8 | -1 | 114 | 146.086 | 3 | ↓ |
| Lo Low (pH 4.5-6) | -0.65 | 2.39 | -7.18 | 2 | 8 | 0 | 114 | 147.094 | 4 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| UniProt Database Links | ADAA_BACSU; ADAB_BACSU; APEA_DICDI; DTXH_CORBE; PARP1_MOUSE; RN146_AILME; RN146_HUMAN; RN146_MACFA; RN146_MOUSE; RN146_PONAB; RN146_RAT; SNG1_YEAST; SPC1L_HUMAN | ChEBI |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z80414-2-O | Raji (B-lymphoblastic Cells) (cluster #2 Of 3), Other | Other | 2000 | 0.80 | Functional ≤ 10μM |
| Z80870-1-O | GM892A Cell Line (cluster #1 Of 2), Other | Other | 200 | 0.94 | Functional ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z80870 | Z80870 | GM892A Cell Line | 200 | 0.94 | Functional ≤ 10μM |
| Z80414 | Z80414 | Raji (B-lymphoblastic Cells) | 2000 | 0.80 | Functional ≤ 10μM |
No pre-computed analogs available. Try a structural similarity search.