In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
January 28th, 2011 | 24 | Yes |
Popular Name: 1-(3-cyano-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-2-yl)-3-[(2-methoxyphenyl)methyl]urea 1-(3-cyano-4,5,6,7-tetrahydrothi…
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) | 2.09 | 4.9 | -50.73 | 4 | 6 | 1 | 91 | 343.432 | 4 | ↓ |
Hi High (pH 8-9.5) | 2.09 | 3.53 | -8.97 | 3 | 6 | 0 | 86 | 342.424 | 4 | ↓ |
No pre-computed analogs available. Try a structural similarity search.