In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
August 7th, 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) | 4.51 | 13.81 | -80.57 | 1 | 9 | 0 | 120 | 495.576 | 12 | ↓ |
Mid Mid (pH 6-8) | 3.93 | 2.38 | -53.62 | 1 | 9 | 1 | 113 | 496.584 | 12 | ↓ |