UCSF

ZINC55017656

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
December 10th, 2010 20 Yes

Popular Name: (3S)-3-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethylamino)-3-phenyl-propanenitrile (3S)-3-(5,6-dihydro-4H-cyclopent…

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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) 2.19 9.14 -7.13 1 2 0 36 282.412 5 ↓
Lo Low (pH 4.5-6) 2.19 10.4 -45.8 2 2 1 40 283.42 5 ↓

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

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