In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
October 31st, 2005 | 22 | 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) | 4.93 | 11.72 | -37.3 | 1 | 2 | 1 | 8 | 301.498 | 3 | ↓ |
Mid Mid (pH 6-8) | 4.93 | 9.58 | -2.36 | 0 | 2 | 0 | 6 | 300.49 | 3 | ↓ |