UCSF

ZINC61326110

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
April 8th, 2011 20 Yes

Popular Name: (S)-4,5-dihydrothieno[3,2-e][1,3]benzothiazol-2-yl(phenyl)methanamine (S)-4,5-dihydrothieno[3,2-e][1,3…

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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) 3.52 6.91 -8.23 2 2 0 39 298.436 2 ↓
Mid Mid (pH 6-8) 3.52 7.25 -43.77 3 2 1 41 299.444 2 ↓

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

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