In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 13th, 2008 | 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) | 3.95 | 8.72 | -57.35 | 0 | 7 | -1 | 82 | 495.571 | 10 | ↓ |
Mid Mid (pH 6-8) | 3.95 | 11.07 | -70.78 | 1 | 7 | 0 | 83 | 496.579 | 10 | ↓ |