In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
March 14th, 2011 | 21 | 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) | 2.27 | 9.2 | -43.28 | 2 | 3 | 1 | 44 | 280.395 | 1 | ↓ |
Mid Mid (pH 6-8) | 2.27 | 7.26 | -9.26 | 1 | 3 | 0 | 43 | 279.387 | 1 | ↓ |