In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
March 13th, 2006 | 30 | 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) | 3.56 | 1.48 | -45.55 | 2 | 6 | 1 | 75 | 431.94 | 9 | ↓ |
Mid Mid (pH 6-8) | 2.98 | 1.3 | -54.18 | 1 | 6 | 1 | 72 | 431.94 | 9 | ↓ |