In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
October 14th, 2009 | 30 | 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) | 2.98 | 9.75 | -56.93 | 2 | 8 | 1 | 92 | 417.53 | 7 | ↓ |
Mid Mid (pH 6-8) | 2.98 | 7.4 | -13.78 | 1 | 8 | 0 | 91 | 416.522 | 7 | ↓ |