In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
February 28th, 2010 | 29 | 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) | 4.64 | 12.5 | -13.98 | 1 | 3 | 0 | 42 | 380.491 | 7 | ↓ |
Lo Low (pH 4.5-6) | 4.64 | 12.87 | -38.24 | 2 | 3 | 1 | 43 | 381.499 | 7 | ↓ |