UCSF

ZINC41663621

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
April 21st, 2010 20 No

Popular Name: N-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethyl)-1-(2-nitrophenyl)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) 3.36 8.66 -9.12 1 4 0 58 288.372 5 ↓
Mid Mid (pH 6-8) 3.36 10.02 -44.52 2 4 1 62 289.38 5 ↓

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

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