In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
May 23rd, 2010 | 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) | 3.72 | 7.65 | -6.16 | 2 | 3 | 0 | 52 | 241.338 | 2 | ↓ |
Lo Low (pH 4.5-6) | 3.72 | 7.61 | -23.66 | 3 | 3 | 1 | 53 | 242.346 | 2 | ↓ |