In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 11th, 2009 | 17 | 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) | 1.23 | 6.51 | -26.28 | 3 | 3 | 1 | 43 | 226.303 | 1 | ↓ |
Mid Mid (pH 6-8) | 1.23 | 6.13 | -7.21 | 2 | 3 | 0 | 42 | 225.295 | 1 | ↓ |