In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
October 12th, 2009 | 26 | 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) | 2.16 | 6.85 | -49.12 | 2 | 6 | 1 | 57 | 367.558 | 7 | ↓ |
Lo Low (pH 4.5-6) | 2.16 | 8.74 | -101.88 | 3 | 6 | 2 | 58 | 368.566 | 7 | ↓ |