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) | -0.29 | -0.09 | -44.33 | 3 | 3 | 1 | 40 | 171.264 | 1 | ↓ |
Mid Mid (pH 6-8) | -0.29 | 2.1 | -102.42 | 4 | 3 | 2 | 41 | 172.272 | 1 | ↓ |
No pre-computed analogs available. Try a structural similarity search.