In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 17th, 2010 | 15 | 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) | 0.06 | 2.16 | -14.65 | 3 | 5 | 0 | 85 | 202.217 | 2 | ↓ |
Lo Low (pH 4.5-6) | 0.06 | 2.62 | -47.65 | 4 | 5 | 1 | 86 | 203.225 | 2 | ↓ |