In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
January 26th, 2010 | 25 | 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) | 1.17 | 3.71 | -11.5 | 2 | 7 | 0 | 80 | 342.399 | 1 | ↓ |
Mid Mid (pH 6-8) | 1.17 | 5.2 | -48.43 | 3 | 7 | 1 | 81 | 343.407 | 1 | ↓ |