In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
May 28th, 2009 | 30 | 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) | 4.25 | 9.64 | -52.49 | 0 | 8 | -1 | 102 | 427.458 | 6 | ↓ |
Lo Low (pH 4.5-6) | 0.02 | 10.03 | -63.23 | 1 | 8 | 0 | 101 | 428.466 | 7 | ↓ |