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) | 1.42 | 0.32 | -51.27 | 2 | 7 | 1 | 84 | 396.467 | 8 | ↓ |
Mid Mid (pH 6-8) | 0.84 | 0.16 | -59.25 | 1 | 7 | 1 | 81 | 396.467 | 8 | ↓ |