In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
July 24th, 2004 | 28 | Yes |
Popular Name: 3-[(Acetyl-Methyl-Amino)-Methyl]-4-Amino-N-Methyl-N-(1-Methyl-1h-Indol-2-Ylmethyl)-Benzamide 3-[(Acetyl-Methyl-Amino)-Methyl]…
None
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) | 1.41 | 0.41 | -14.04 | 2 | 6 | 0 | 71 | 378.476 | 5 | ↓ |
Note Type | Comments | Provided By |
---|---|---|
ALOGPS_SOLUBILITY | 3.46e-02 g/l | DrugBank-experimental |
Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
---|---|---|---|---|---|
FABI-1-B | Enoyl-[acyl-carrier-protein] Reductase (cluster #1 Of 2), Bacterial | Bacteria | 6700 | 0.26 | Binding ≤ 10μM |
Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
---|---|---|---|---|---|
FABI_STAAR | Q6GI75 | Enoyl-[acyl-carrier-protein] Reductase, Staar | 6700 | 0.26 | Binding ≤ 10μM |