In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
March 13th, 2010 | 28 | Yes |
Popular Name: 1-(4-ethylpiperazin-1-yl)-4-[(2S)-2-(2-pyridyl)-2H-indol-3-yl]butan-1-one 1-(4-ethylpiperazin-1-yl)-4-[(2S…
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) | 3.20 | 9.56 | -14.13 | 1 | 5 | 0 | 52 | 376.504 | 6 | ↓ |
Mid Mid (pH 6-8) | 3.20 | 11.78 | -48.99 | 2 | 5 | 1 | 53 | 377.512 | 6 | ↓ |