UCSF

ZINC65529454

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
July 19th, 2011 23 Yes

Popular Name: 4-[(8S)-2-(dimethylamino)-6-oxo-4,5,7,8-tetrahydrothiazolo[4,5-c]azepin-8-yl]benzoic 4-[(8S)-2-(dimethylamino)-6-oxo-…

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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) 2.06 6.63 -54.15 1 6 -1 85 330.389 3 ↓
Lo Low (pH 4.5-6) 2.06 7.02 -69.26 2 6 0 87 331.397 3 ↓

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

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