UCSF

ZINC53391498

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Substance Information

In ZINC since Heavy atoms Benign functionality
November 21st, 2010 20 Yes

Popular Name: N-[(5-chloro-2-thienyl)methyl]-2-[(4S)-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]ethanamine N-[(5-chloro-2-thienyl)methyl]-2…

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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) 4.05 7.79 -49.57 2 2 1 20 327.926 5 ↓
Hi High (pH 8-9.5) 4.05 6.45 -3.72 1 2 0 15 326.918 5 ↓
Mid Mid (pH 6-8) 4.05 8.49 -38.89 2 2 1 16 327.926 5 ↓
Lo Low (pH 4.5-6) 4.05 9.84 -133.11 3 2 2 21 328.934 5 ↓

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Rings

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

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