In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 2nd, 2011 | 23 | Yes |
Popular Name: [4-[(2R)-2-hydroxybutyl]piperazin-1-yl]-(2-methyl-1H-indol-3-yl)methanone [4-[(2R)-2-hydroxybutyl]piperazi…
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) | 1.40 | 3.83 | -12.03 | 2 | 5 | 0 | 60 | 315.417 | 4 | ↓ |
Lo Low (pH 4.5-6) | 1.40 | 6.09 | -47.09 | 3 | 5 | 1 | 61 | 316.425 | 4 | ↓ |