In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
March 13th, 2010 | 40 | Yes |
Popular Name: 1-(4-benzhydrylpiperazin-1-yl)-4-[(2S)-5-methyl-2-(2-pyridyl)-2H-indol-3-yl]butan-1-one 1-(4-benzhydrylpiperazin-1-yl)-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) | 6.43 | 17.44 | -14.63 | 1 | 5 | 0 | 52 | 528.7 | 8 | ↓ |
Lo Low (pH 4.5-6) | 6.43 | 19.03 | -49.12 | 2 | 5 | 1 | 53 | 529.708 | 8 | ↓ |