| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| December 1st, 2009 | 21 | Yes |
Popular Name: 2-[[(1S)-1-methylpropyl]amino]-1-[4-(2-thienylmethyl)-1,4-diazepan-1-yl]ethanone 2-[[(1S)-1-methylpropyl]amino]-1…
| 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) | 2.12 | 9.06 | -96.01 | 3 | 4 | 2 | 41 | 311.495 | 6 | ↓ |
| Hi High (pH 8-9.5) | 2.12 | 5.97 | -9.03 | 1 | 4 | 0 | 36 | 309.479 | 6 | ↓ |
| Mid Mid (pH 6-8) | 2.12 | 7.17 | -40.13 | 2 | 4 | 1 | 40 | 310.487 | 6 | ↓ |
