In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
August 27th, 2007 | 36 | 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) | 4.12 | 10.9 | -57.07 | 0 | 8 | -1 | 97 | 494.564 | 12 | ↓ |
Mid Mid (pH 6-8) | 4.56 | 9.03 | -27.01 | 1 | 8 | 0 | 95 | 495.572 | 11 | ↓ |