In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
April 25th, 2011 | 25 | Yes |
Popular Name: 2-(1H-indol-3-yl)-1-[(3S,5R)-4-(3-methoxypropyl)-3,5-dimethyl-piperazin-1-yl]ethanone 2-(1H-indol-3-yl)-1-[(3S,5R)-4-(…
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) | 2.42 | 8.42 | -46.63 | 2 | 5 | 1 | 50 | 344.479 | 6 | ↓ |
Mid Mid (pH 6-8) | 2.42 | 6.34 | -13.21 | 1 | 5 | 0 | 49 | 343.471 | 6 | ↓ |