In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 9th, 2009 | 31 | No |
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) | 2.29 | 7.85 | -74.7 | 2 | 7 | 0 | 94 | 428.46 | 8 | ↓ |
Lo Low (pH 4.5-6) | 2.29 | 7.08 | -57.92 | 3 | 7 | 1 | 92 | 429.468 | 8 | ↓ |