In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
March 7th, 2011 | 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) | -0.12 | 1.38 | -62.43 | 3 | 5 | 0 | 85 | 219.281 | 10 | ↓ |
Lo Low (pH 4.5-6) | -0.12 | -0.6 | -38.04 | 4 | 5 | 1 | 82 | 220.289 | 10 | ↓ |