In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 10th, 2009 | 21 | Yes |
Popular Name: N-(5-benzyl-4-methyl-thiazol-2-yl)-4,5-dihydro-1H-imidazole-2-carboxamide N-(5-benzyl-4-methyl-thiazol-2-y…
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) | 2.16 | 5.83 | -39.08 | 3 | 5 | 1 | 68 | 301.395 | 4 | ↓ |
Hi High (pH 8-9.5) | 2.16 | 4.78 | -10.88 | 2 | 5 | 0 | 66 | 300.387 | 4 | ↓ |
Hi High (pH 8-9.5) | 2.35 | 4.12 | -30.66 | 2 | 5 | 0 | 74 | 300.387 | 4 | ↓ |
Hi High (pH 8-9.5) | 2.35 | 3 | -48.41 | 1 | 5 | -1 | 73 | 299.379 | 4 | ↓ |