In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 10th, 2010 | 18 | Yes |
Popular Name: [4-[[(4R)-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]methyl]thiazol-2-yl]methanamine [4-[[(4R)-4-methyl-6,7-dihydro-4…
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) | 1.65 | 3.04 | -45.39 | 3 | 3 | 1 | 44 | 280.442 | 3 | ↓ |
Mid Mid (pH 6-8) | 1.65 | 2.64 | -5.96 | 2 | 3 | 0 | 42 | 279.434 | 3 | ↓ |
Lo Low (pH 4.5-6) | 1.65 | 5.12 | -97.37 | 4 | 3 | 2 | 45 | 281.45 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.