In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
June 6th, 2007 | 32 | 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) | 2.33 | 5.81 | -14.98 | 4 | 9 | 0 | 122 | 435.484 | 7 | ↓ |
Mid Mid (pH 6-8) | 2.50 | 5.95 | -43.92 | 3 | 9 | -1 | 123 | 434.476 | 7 | ↓ |