UCSF

ZINC53391520

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Substance Information

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

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

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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) 3.99 7.77 -48.21 2 2 1 20 372.377 5 ↓
Hi High (pH 8-9.5) 3.99 6.43 -3.92 1 2 0 15 371.369 5 ↓
Mid Mid (pH 6-8) 3.99 8.48 -38.38 2 2 1 16 372.377 5 ↓
Lo Low (pH 4.5-6) 3.99 9.83 -131.12 3 2 2 21 373.385 5 ↓

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Rings

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

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