In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
April 30th, 2010 | 20 | 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) | 3.17 | 6.82 | -43.11 | 3 | 3 | 1 | 44 | 279.448 | 7 | ↓ |
Mid Mid (pH 6-8) | 3.17 | 8.95 | -27.71 | 3 | 3 | 1 | 44 | 279.448 | 7 | ↓ |