In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
December 1st, 2009 | 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) | 1.78 | 6.36 | -42.59 | 3 | 4 | 1 | 51 | 294.806 | 1 | ↓ |
Mid Mid (pH 6-8) | 1.78 | 4.12 | -7.29 | 2 | 4 | 0 | 50 | 293.798 | 1 | ↓ |