In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
February 27th, 2010 | 22 | Yes |
Popular Name: 2-[(2S)-1-[[2-(2H-imidazol-2-yl)phenyl]methyl]pyrrolidin-2-yl]thiazole 2-[(2S)-1-[[2-(2H-imidazol-2-yl)…
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) | 1.88 | 6.48 | -31.53 | 1 | 4 | 1 | 42 | 311.434 | 4 | ↓ |
Hi High (pH 8-9.5) | 1.88 | 4.89 | -9.92 | 0 | 4 | 0 | 41 | 310.426 | 4 | ↓ |
No pre-computed analogs available. Try a structural similarity search.