UCSF

ZINC65508420

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Substance Information

In ZINC since Heavy atoms Benign functionality
July 18th, 2011 25 No

Popular Name: (8S)-2-amino-8-[2-(4-chlorophenyl)pyrimidin-5-yl]-4,5,7,8-tetrahydrothiazolo[4,5-c]azepin-6-one (8S)-2-amino-8-[2-(4-chloropheny…

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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) 2.21 5.17 -11.46 3 6 0 94 371.853 2 ↓
Lo Low (pH 4.5-6) 2.21 5.6 -44.1 4 6 1 95 372.861 2 ↓

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

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