In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
September 26th, 2010 | 20 | No |
Popular Name: 3-[[(1R)-2-imidazol-1-yl-1-methyl-ethyl]amino]-5,6-dimethyl-pyridazine-4-carbothioamide 3-[[(1R)-2-imidazol-1-yl-1-methy…
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) | 0.94 | 6.52 | -37.06 | 4 | 6 | 1 | 83 | 291.404 | 5 | ↓ |
Mid Mid (pH 6-8) | 0.94 | 6 | -19.46 | 3 | 6 | 0 | 82 | 290.396 | 5 | ↓ |
Lo Low (pH 4.5-6) | 0.94 | 6.64 | -84.01 | 5 | 6 | 2 | 84 | 292.412 | 5 | ↓ |
No pre-computed analogs available. Try a structural similarity search.