In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
December 10th, 2011 | 12 | 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) | 1.84 | 2.11 | -3.64 | 1 | 2 | 0 | 21 | 163.22 | 1 | ↓ |
Mid Mid (pH 6-8) | 1.84 | 3.4 | -35.96 | 2 | 2 | 1 | 26 | 164.228 | 1 | ↓ |
No pre-computed analogs available. Try a structural similarity search.