In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
January 27th, 2010 | 38 | 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) | 4.62 | 10.47 | -15.93 | 2 | 8 | 0 | 97 | 513.594 | 11 | ↓ |
Mid Mid (pH 6-8) | 4.62 | 11.23 | -55.99 | 1 | 8 | -1 | 100 | 512.586 | 11 | ↓ |