In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
May 13th, 2010 | 19 | 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) | 3.42 | 5.89 | -5.44 | 0 | 3 | 0 | 30 | 299.823 | 3 | ↓ |
Lo Low (pH 4.5-6) | 3.42 | 8.02 | -36.08 | 1 | 3 | 1 | 31 | 300.831 | 3 | ↓ |