In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
December 13th, 2008 | 13 | 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) | 0.86 | 4.35 | -47.95 | 2 | 3 | 1 | 37 | 185.291 | 2 | ↓ |
Hi High (pH 8-9.5) | 0.86 | 2.88 | -6.59 | 1 | 3 | 0 | 32 | 184.283 | 2 | ↓ |