In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
September 21st, 2009 | 31 | 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) | 3.24 | 11.57 | -13.53 | 1 | 5 | 0 | 62 | 417.484 | 8 | ↓ |
Lo Low (pH 4.5-6) | 3.24 | 12.04 | -47.91 | 2 | 5 | 1 | 64 | 418.492 | 8 | ↓ |