In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
October 31st, 2008 | 29 | Yes |
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) | 2.72 | 10.08 | -17.39 | 1 | 5 | 0 | 62 | 395.478 | 6 | ↓ |
Lo Low (pH 4.5-6) | 2.72 | 10.5 | -36.19 | 2 | 5 | 1 | 64 | 396.486 | 6 | ↓ |