UCSF

ZINC65564990

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Substance Information

In ZINC since Heavy atoms Benign functionality
July 20th, 2011 27 Yes

Popular Name: (3aS)-7-chloro-3a-(4-thiazol-2-ylpiperazine-1-carbonyl)-2,3-dihydropyrrolo[2,1-b][1,3]benzothiazol-1 (3aS)-7-chloro-3a-(4-thiazol-2-y…

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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) 2.24 8.67 -18.87 0 6 0 57 420.947 2 ↓
Lo Low (pH 4.5-6) 2.24 9.12 -50.66 1 6 1 58 421.955 2 ↓

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

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