In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
October 18th, 2007 | 18 | 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) | 1.95 | 7.58 | -53.09 | 2 | 3 | 1 | 53 | 238.314 | 4 | ↓ |
Lo Low (pH 4.5-6) | 1.95 | 7.86 | -116.64 | 3 | 3 | 2 | 55 | 239.322 | 4 | ↓ |