In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 22nd, 2009 | 20 | Yes |
Popular Name: (1S)-2-methyl-1-(2-thienyl)-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)propan-1-amine (1S)-2-methyl-1-(2-thienyl)-N-([…
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) | 3.03 | 9.61 | -47.72 | 2 | 4 | 1 | 47 | 287.412 | 5 | ↓ |
Mid Mid (pH 6-8) | 3.03 | 8.3 | -12.58 | 1 | 4 | 0 | 42 | 286.404 | 5 | ↓ |
No pre-computed analogs available. Try a structural similarity search.