In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
April 25th, 2010 | 17 | 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) | 1.88 | 4.68 | -66.47 | 3 | 5 | 0 | 86 | 242.319 | 8 | ↓ |
Lo Low (pH 4.5-6) | 1.88 | 2.7 | -38.79 | 4 | 5 | 1 | 83 | 243.327 | 8 | ↓ |