In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
December 9th, 2010 | 18 | Yes |
Popular Name: (1R)-1-[4-methyl-2-[methyl-[(3R)-1-methyl-3-piperidyl]amino]thiazol-5-yl]ethanol (1R)-1-[4-methyl-2-[methyl-[(3R)…
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) | 1.54 | 5.28 | -39.54 | 2 | 4 | 1 | 41 | 270.422 | 3 | ↓ |
Hi High (pH 8-9.5) | 1.54 | 2.9 | -8.19 | 1 | 4 | 0 | 40 | 269.414 | 3 | ↓ |
Lo Low (pH 4.5-6) | 1.54 | 5.63 | -82.23 | 3 | 4 | 2 | 42 | 271.43 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.