In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
December 1st, 2009 | 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) | 1.86 | 5.92 | -34.03 | 2 | 3 | 1 | 29 | 248.394 | 4 | ↓ |
Mid Mid (pH 6-8) | 1.87 | 4.99 | -42.63 | 2 | 3 | 1 | 33 | 248.394 | 4 | ↓ |