In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 16th, 2008 | 24 | 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) | 3.65 | 9.01 | -43.19 | 3 | 4 | 1 | 46 | 342.488 | 2 | ↓ |
Mid Mid (pH 6-8) | 3.65 | 6.55 | -14.05 | 2 | 4 | 0 | 44 | 341.48 | 2 | ↓ |