In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 15th, 2011 | 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) | 0.45 | 0.35 | -44.88 | 4 | 4 | 1 | 60 | 251.35 | 4 | ↓ |
Lo Low (pH 4.5-6) | 0.45 | 2.64 | -109.74 | 5 | 4 | 2 | 62 | 252.358 | 4 | ↓ |