UCSF

ZINC53391538

Draw Identity 99% 90% 80% 70%

Substance Information

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

Popular Name: 2-[(4S)-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-N-[(1S)-1-(2-thienyl)ethyl]ethanamine 2-[(4S)-4-methyl-6,7-dihydro-4H-…

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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) 3.81 7.68 -42.01 2 2 1 20 307.508 5 ↓
Hi High (pH 8-9.5) 3.81 6.51 -3.95 1 2 0 15 306.5 5 ↓
Mid Mid (pH 6-8) 3.81 8.55 -37.84 2 2 1 16 307.508 5 ↓
Lo Low (pH 4.5-6) 3.81 9.72 -124.07 3 2 2 21 308.516 5 ↓

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Rings

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

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