In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
October 12th, 2009 | 34 | No |
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) | 2.65 | 12 | -49.65 | 2 | 8 | 1 | 97 | 460.51 | 4 | ↓ |
Mid Mid (pH 6-8) | 2.65 | 9.56 | -19.93 | 1 | 8 | 0 | 96 | 459.502 | 4 | ↓ |