In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
October 25th, 2011 | 20 | Yes |
Popular Name: (6S)-N-(benzothiophen-3-ylmethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-amine (6S)-N-(benzothiophen-3-ylmethyl…
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) | 1.94 | 8.7 | -57.97 | 2 | 4 | 1 | 47 | 285.396 | 3 | ↓ |
Hi High (pH 8-9.5) | 1.94 | 7.53 | -10.04 | 1 | 4 | 0 | 43 | 284.388 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.