In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
April 29th, 2011 | 25 | Yes |
Popular Name: (2R)-3-(4-chlorophenyl)-N-[[4-(diethylaminomethyl)thiazol-2-yl]methyl]-2-methyl-propanamide (2R)-3-(4-chlorophenyl)-N-[[4-(d…
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) | 3.50 | 9.79 | -38.74 | 2 | 4 | 1 | 46 | 380.965 | 9 | ↓ |
Hi High (pH 8-9.5) | 3.50 | 7.34 | -7.94 | 1 | 4 | 0 | 45 | 379.957 | 9 | ↓ |
No pre-computed analogs available. Try a structural similarity search.