In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
October 31st, 2008 | 18 | Yes |
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) | 3.01 | 7.77 | -34.84 | 1 | 2 | 1 | 8 | 251.369 | 4 | ↓ |
Mid Mid (pH 6-8) | 3.01 | 8.09 | -39.88 | 1 | 2 | 1 | 8 | 251.369 | 4 | ↓ |
Mid Mid (pH 6-8) | 3.01 | 5.77 | -2.4 | 0 | 2 | 0 | 6 | 250.361 | 4 | ↓ |