UCSF

ZINC36964790

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
November 18th, 2009 18 Yes

Popular Name: 4-chloro-3-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-ylmethyl)aniline 4-chloro-3-(6,7-dihydro-4H-thien…

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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) 2.69 5.89 -4.73 2 2 0 29 278.808 2 ↓
Mid Mid (pH 6-8) 2.69 7.94 -35.12 3 2 1 30 279.816 2 ↓

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Rings

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

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