UCSF

ZINC20130744

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
November 17th, 2008 24 Yes

Popular Name: 2-(azepan-1-ylmethyleneamino)-5,5,7,7-tetramethyl-4,6-dihydrothieno[5,4-c]pyridine-3-carbonitrile 2-(azepan-1-ylmethyleneamino)-5,…

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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) 0.13 11.62 -90.56 3 4 2 55 346.544 2 ↓
Hi High (pH 8-9.5) 0.13 10.68 -36.53 2 4 1 51 345.536 2 ↓

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

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