UCSF

ZINC49538780

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
October 5th, 2010 20 Yes

Popular Name: (1S)-N-[[(2S,3aS,7aS)-2,3,3a,4,5,6,7,7a-octahydro-1H-indol-2-yl]methyl]-1-(2,4-dimethylthiazol-5-yl) (1S)-N-[[(2S,3aS,7aS)-2,3,3a,4,5…

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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) 3.73 7.22 -126.75 4 3 2 46 295.496 4 ↓
Mid Mid (pH 6-8) 3.73 5.84 -37.66 3 3 1 42 294.488 4 ↓

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

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