In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
October 31st, 2008 | 18 | 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) | 3.50 | 8.24 | -32.57 | 1 | 2 | 1 | 8 | 267.824 | 4 | ↓ |
Mid Mid (pH 6-8) | 3.50 | 8.58 | -37.58 | 1 | 2 | 1 | 8 | 267.824 | 4 | ↓ |
Mid Mid (pH 6-8) | 3.50 | 6.25 | -1.95 | 0 | 2 | 0 | 6 | 266.816 | 4 | ↓ |