In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
January 12th, 2006 | 29 | 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) | 4.02 | 5.84 | -43.51 | 1 | 7 | -1 | 96 | 406.443 | 4 | ↓ |
Mid Mid (pH 6-8) | 4.02 | -4.36 | -17.03 | 2 | 7 | 0 | 93 | 407.451 | 4 | ↓ |