In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 22nd, 2009 | 19 | Yes |
Popular Name: (1R)-1-(3-bromo-2-thienyl)-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)ethanamine (1R)-1-(3-bromo-2-thienyl)-N-([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) | 3.02 | 7.58 | -11.89 | 1 | 4 | 0 | 42 | 337.246 | 4 | ↓ |
Mid Mid (pH 6-8) | 3.02 | 8.78 | -46.41 | 2 | 4 | 1 | 47 | 338.254 | 4 | ↓ |
No pre-computed analogs available. Try a structural similarity search.