In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
December 7th, 2010 | 18 | Yes |
Popular Name: (1R)-N-(thiazol-5-ylmethyl)-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethanamine (1R)-N-(thiazol-5-ylmethyl)-1-([…
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) | 1.56 | 5.04 | -17.29 | 1 | 5 | 0 | 55 | 259.338 | 4 | ↓ |
Mid Mid (pH 6-8) | 1.56 | 6.22 | -51.68 | 2 | 5 | 1 | 60 | 260.346 | 4 | ↓ |
No pre-computed analogs available. Try a structural similarity search.