UCSF

ZINC69951008

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
November 1st, 2011 25 Yes

Popular Name: N-[2-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)ethyl]-3,4,6-trimethyl-thieno[2,3-b]pyridine- N-[2-(6,7-dihydro-5H-pyrrolo[2,1…

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Physical Representations

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) 2.48 8.06 -19.72 1 6 0 73 355.467 4 ↓
Mid Mid (pH 6-8) 2.48 8.46 -44.4 2 6 1 74 356.475 4 ↓

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Analogs ( Draw Identity 99% 90% 80% 70% )

No pre-computed analogs available. Try a structural similarity search.