In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
January 26th, 2006 | 29 | 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) | 1.45 | 7.43 | -52.9 | 2 | 7 | 1 | 84 | 396.467 | 8 | ↓ |
Mid Mid (pH 6-8) | 0.86 | 8.13 | -61.58 | 1 | 7 | 1 | 81 | 396.467 | 8 | ↓ |