In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
October 30th, 2011 | 17 | Yes |
Popular Name: (6S)-2-methyl-N-(3-thienylmethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-amine (6S)-2-methyl-N-(3-thienylmethyl…
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) | 0.72 | 6.18 | -54.6 | 2 | 4 | 1 | 47 | 249.363 | 3 | ↓ |
Hi High (pH 8-9.5) | 0.72 | 5.03 | -8.45 | 1 | 4 | 0 | 43 | 248.355 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.