In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
August 3rd, 2008 | 21 | No |
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) | 2.86 | 7.35 | -43.12 | 3 | 3 | 1 | 49 | 281.379 | 2 | ↓ |
Mid Mid (pH 6-8) | 2.86 | 6.5 | -6.22 | 2 | 3 | 0 | 45 | 280.371 | 2 | ↓ |