In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
April 29th, 2010 | 13 | 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) | 0.74 | 0.84 | -43.12 | 3 | 3 | 1 | 40 | 187.307 | 3 | ↓ |
Lo Low (pH 4.5-6) | 0.74 | 2.63 | -111.16 | 4 | 3 | 2 | 41 | 188.315 | 3 | ↓ |