In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
April 19th, 2009 | 20 | No |
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) | 2.42 | 7.18 | -13.09 | 0 | 4 | 0 | 48 | 271.316 | 6 | ↓ |
Lo Low (pH 4.5-6) | 2.42 | 7.61 | -43.93 | 1 | 4 | 1 | 50 | 272.324 | 6 | ↓ |