In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
April 12th, 2009 | 21 | 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) | 3.20 | 7.47 | -5.02 | 2 | 2 | 0 | 28 | 280.346 | 1 | ↓ |
Lo Low (pH 4.5-6) | 3.20 | 8.8 | -45.86 | 3 | 2 | 1 | 32 | 281.354 | 1 | ↓ |