In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
June 5th, 2011 | 31 | No |
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) | 0.52 | 1.64 | -25.31 | 3 | 10 | 0 | 142 | 439.453 | 4 | ↓ |
Mid Mid (pH 6-8) | 0.70 | -0.62 | -62.18 | 2 | 10 | -1 | 149 | 438.445 | 4 | ↓ |
No pre-computed analogs available. Try a structural similarity search.