In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
October 31st, 2011 | 16 | Yes |
Popular Name: (2R,4S)-4-(5,6-dihydro-4H-cyclopenta[d]thiazol-2-yl)-2-methyl-tetrahydropyran-4-amine (2R,4S)-4-(5,6-dihydro-4H-cyclop…
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) | 1.76 | 3.36 | -45.51 | 3 | 3 | 1 | 50 | 239.364 | 1 | ↓ |
Mid Mid (pH 6-8) | 1.76 | 3.14 | -6.45 | 2 | 3 | 0 | 48 | 238.356 | 1 | ↓ |
No pre-computed analogs available. Try a structural similarity search.