UCSF

ZINC64540117

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Substance Information

In ZINC since Heavy atoms Benign functionality
June 21st, 2011 34 Yes

Popular Name: (3S)-N-[5-[2-(5-chloro-2H-indol-3-yl)ethylcarbamoyl]-2-methyl-phenyl]-2,3-dihydro-1,2-benzothiazole- (3S)-N-[5-[2-(5-chloro-2H-indol-…

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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) 4.74 8.96 -54.42 4 6 1 84 492.024 6 ↓
Mid Mid (pH 6-8) 4.74 9.28 -87.04 5 6 2 89 493.032 6 ↓

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

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