UCSF

ZINC67966095

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Substance Information

In ZINC since Heavy atoms Benign functionality
September 18th, 2011 23 Yes

Popular Name: 2-[(4-methyl-1,4-diazepan-1-yl)sulfonyl]-4,5,6,7-tetrahydrothieno[2,3-c]pyridine-3-carboxylic 2-[(4-methyl-1,4-diazepan-1-yl)s…

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Download: MOL2 SDF SMILES Flexibase

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) 0.63 5.32 -126.01 3 7 1 99 360.481 3 ↓
Hi High (pH 8-9.5) 0.63 3.21 -94.51 2 7 0 97 359.473 3 ↓
Hi High (pH 8-9.5) 0.63 1.85 -68.79 1 7 -1 93 358.465 3 ↓

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

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