In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
July 25th, 2004 | 27 | 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) | 3.50 | 9.78 | -10.14 | 2 | 7 | 0 | 85 | 384.802 | 3 | ↓ |
Lo Low (pH 4.5-6) | 3.68 | 9.88 | -37.24 | 3 | 7 | 1 | 90 | 385.81 | 3 | ↓ |