In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
October 2nd, 2009 | 15 | 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) | 2.49 | 6.08 | -25.81 | 3 | 3 | 1 | 45 | 202.281 | 1 | ↓ |
Mid Mid (pH 6-8) | 2.49 | 6.17 | -7.91 | 2 | 3 | 0 | 44 | 201.273 | 1 | ↓ |