| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| February 12th, 2009 | 32 | Yes |
Popular Name: (3S)-7-chloro-5-(4-hydroxyphenyl)-1-methyl-3-(1-naphthylmethyl)-3H-1,4-benzodiazepin-2-one (3S)-7-chloro-5-(4-hydroxyphenyl…
| 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) | 5.21 | 10.1 | -15.01 | 1 | 4 | 0 | 53 | 440.93 | 3 | ↓ |
| Hi High (pH 8-9.5) | 5.21 | 10.9 | -51.58 | 0 | 4 | -1 | 56 | 439.922 | 3 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z80415-1-O | Ramos (Burkitts Lymhoma B-cells) (cluster #1 Of 1), Other | Other | 5000 | 0.23 | Functional ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z80415 | Z80415 | Ramos (Burkitts Lymhoma B-cells) | 5000 | 0.23 | Functional ≤ 10μM |
