In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
January 29th, 2009 | 28 | 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) | 2.11 | 7.66 | -23.18 | 2 | 7 | 0 | 93 | 401.398 | 4 | ↓ |
Mid Mid (pH 6-8) | 2.18 | 6.91 | -66.77 | 1 | 7 | -1 | 99 | 400.39 | 4 | ↓ |