| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| September 15th, 2011 | 28 | Yes |
Popular Name: 5-methyl-3-[[4-(4-pyridylmethyl)-1,4-diazepan-1-yl]methyl]-1H-indole-2-carboxylic 5-methyl-3-[[4-(4-pyridylmethyl)…
| 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) | 2.40 | 9.57 | -63.09 | 2 | 6 | 0 | 76 | 378.476 | 5 | ↓ |
| Hi High (pH 8-9.5) | 2.40 | 7.75 | -48.96 | 1 | 6 | -1 | 75 | 377.468 | 5 | ↓ |
| Lo Low (pH 4.5-6) | 2.40 | 9.77 | -36.4 | 2 | 6 | 0 | 76 | 378.476 | 5 | ↓ |
