In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
September 17th, 2011 | 21 | 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) | 1.46 | 7.48 | -81.23 | 4 | 5 | 2 | 63 | 301.419 | 3 | ↓ |
Mid Mid (pH 6-8) | 1.46 | 7.01 | -38.82 | 3 | 5 | 1 | 62 | 300.411 | 3 | ↓ |
Mid Mid (pH 6-8) | 1.46 | 7 | -38.84 | 3 | 5 | 1 | 62 | 300.411 | 3 | ↓ |
Lo Low (pH 4.5-6) | 1.46 | 8.82 | -32.53 | 3 | 5 | 1 | 62 | 300.411 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.