In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
July 20th, 2009 | 36 | 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) | 2.53 | 12.53 | -77.22 | 1 | 9 | 0 | 101 | 492.576 | 10 | ↓ |
Lo Low (pH 4.5-6) | 2.53 | 11.22 | -62.95 | 2 | 9 | 1 | 98 | 493.584 | 10 | ↓ |