In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
December 1st, 2008 | 20 | 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) | 1.49 | 1.74 | -50.42 | 1 | 7 | -1 | 99 | 299.328 | 4 | ↓ |
Mid Mid (pH 6-8) | 1.49 | 1.81 | -121.99 | 0 | 7 | -2 | 101 | 298.32 | 4 | ↓ |