In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
April 10th, 2011 | 20 | No |
Popular Name: 2-[cyclobutylmethyl(methyl)amino]-5,6,7,8-tetrahydroquinoline-3-carbothioamide 2-[cyclobutylmethyl(methyl)amino…
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) | 3.33 | 9.56 | -32.23 | 3 | 3 | 1 | 43 | 290.456 | 4 | ↓ |
Mid Mid (pH 6-8) | 3.33 | 9.13 | -10.25 | 2 | 3 | 0 | 42 | 289.448 | 4 | ↓ |
No pre-computed analogs available. Try a structural similarity search.