In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
March 3rd, 2010 | 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) | 0.42 | 3.71 | -52.47 | 3 | 8 | 1 | 88 | 445.584 | 6 | ↓ |
Mid Mid (pH 6-8) | 0.42 | 6.12 | -107.36 | 4 | 8 | 2 | 89 | 446.592 | 6 | ↓ |