In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
April 29th, 2011 | 26 | Yes |
Popular Name: 1-[2-(4-tert-butylphenyl)ethyl]-3-(imidazo[1,5-a]pyridin-3-ylmethyl)urea 1-[2-(4-tert-butylphenyl)ethyl]-…
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) | 3.93 | 9.56 | -12.48 | 2 | 5 | 0 | 58 | 350.466 | 6 | ↓ |
Lo Low (pH 4.5-6) | 3.93 | 10.02 | -35.52 | 3 | 5 | 1 | 60 | 351.474 | 6 | ↓ |
No pre-computed analogs available. Try a structural similarity search.