In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
September 21st, 2009 | 33 | 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) | 1.04 | 8.23 | -24.65 | 1 | 9 | 0 | 100 | 446.511 | 7 | ↓ |
Lo Low (pH 4.5-6) | 1.04 | 8.7 | -55.87 | 2 | 9 | 1 | 102 | 447.519 | 7 | ↓ |