In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
October 25th, 2011 | 21 | Yes |
Popular Name: 2-tert-butyl-4-[[(3R)-3-(1,3-dioxolan-2-yl)-1-piperidyl]methyl]thiazole 2-tert-butyl-4-[[(3R)-3-(1,3-dio…
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) | 2.93 | 7.81 | -32.55 | 1 | 4 | 1 | 36 | 311.471 | 4 | ↓ |
Mid Mid (pH 6-8) | 2.93 | 5.54 | -5.84 | 0 | 4 | 0 | 35 | 310.463 | 4 | ↓ |
No pre-computed analogs available. Try a structural similarity search.