In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
April 9th, 2009 | 30 | 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) | 7.15 | 9.77 | -7.41 | 3 | 5 | 0 | 78 | 504.584 | 4 | ↓ |
Mid Mid (pH 6-8) | 7.15 | 10.79 | -38.69 | 2 | 5 | -1 | 81 | 503.576 | 4 | ↓ |