In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
August 25th, 2007 | 36 | 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) | 3.62 | 6.79 | -20.28 | 3 | 8 | 0 | 108 | 485.54 | 9 | ↓ |
Mid Mid (pH 6-8) | 3.62 | 7.57 | -60.7 | 2 | 8 | -1 | 111 | 484.532 | 9 | ↓ |