In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
March 13th, 2010 | 33 | Yes |
Popular Name: 4-[(2S)-5-chloro-2-(2-quinolyl)-2H-indol-3-yl]-1-(4-ethylpiperazin-1-yl)butan-1-one 4-[(2S)-5-chloro-2-(2-quinolyl)-…
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) | 5.10 | 12.21 | -14.67 | 1 | 5 | 0 | 52 | 461.009 | 6 | ↓ |
Mid Mid (pH 6-8) | 5.10 | 14.43 | -48.7 | 2 | 5 | 1 | 53 | 462.017 | 6 | ↓ |