In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
July 24th, 2010 | 32 | 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) | 2.78 | 10.26 | -14.61 | 2 | 6 | 0 | 78 | 428.536 | 5 | ↓ |
Lo Low (pH 4.5-6) | 2.78 | 10.71 | -40.55 | 3 | 6 | 1 | 79 | 429.544 | 5 | ↓ |