In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
December 24th, 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) | 1.70 | 6.64 | -47.63 | 3 | 2 | 1 | 37 | 246.305 | 4 | ↓ |
Hi High (pH 8-9.5) | 1.70 | 6.36 | -4.32 | 2 | 2 | 0 | 35 | 245.297 | 4 | ↓ |