In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
December 6th, 2008 | 16 | 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) | 1.94 | 1.32 | -10 | 1 | 4 | 0 | 46 | 236.296 | 1 | ↓ |
Hi High (pH 8-9.5) | 1.94 | 2.1 | -41.8 | 0 | 4 | -1 | 48 | 235.288 | 1 | ↓ |