In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
December 9th, 2008 | 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) | 2.31 | 8.46 | -39.44 | 3 | 3 | 1 | 40 | 291.459 | 6 | ↓ |
Mid Mid (pH 6-8) | 2.31 | 8.79 | -138.44 | 4 | 3 | 2 | 41 | 292.467 | 6 | ↓ |