In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
December 9th, 2008 | 11 | 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) | 0.88 | 3.95 | -40.76 | 2 | 3 | 1 | 29 | 172.277 | 4 | ↓ |
Hi High (pH 8-9.5) | 0.88 | 1.41 | -5.93 | 1 | 3 | 0 | 28 | 171.269 | 4 | ↓ |