In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
September 14th, 2011 | 23 | Yes |
Popular Name: (2R)-1-[[2-(3-chlorophenyl)-5-methyl-oxazol-4-yl]methyl]-2-methyl-1,4-diazepan-5-one (2R)-1-[[2-(3-chlorophenyl)-5-me…
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) | 2.63 | 4.8 | -45.45 | 2 | 5 | 1 | 60 | 334.827 | 3 | ↓ |
Hi High (pH 8-9.5) | 2.63 | 2.83 | -10.7 | 1 | 5 | 0 | 58 | 333.819 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.