In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 28th, 2008 | 30 | 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) | 3.47 | 11.9 | -9.99 | 1 | 4 | 0 | 45 | 395.506 | 4 | ↓ |
Lo Low (pH 4.5-6) | 3.47 | 12.35 | -36.93 | 2 | 4 | 1 | 46 | 396.514 | 4 | ↓ |