In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 28th, 2005 | 20 | 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) | 1.77 | 2.41 | -9.14 | 1 | 6 | 0 | 102 | 272.308 | 2 | ↓ |
Mid Mid (pH 6-8) | 1.77 | 2.53 | -10.79 | 0 | 6 | 0 | 101 | 271.3 | 2 | ↓ |