UCSF

ZINC70093369

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
November 3rd, 2011 19 Yes

Popular Name: N-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethyl)-1-(6-methoxy-2-pyridyl)methanamine N-(5,6-dihydro-4H-cyclopenta[b]t…

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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) 2.68 4.69 -7.28 1 3 0 34 274.389 5 ↓
Mid Mid (pH 6-8) 2.68 6.07 -43.53 2 3 1 39 275.397 5 ↓

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

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