UCSF

ZINC53629338

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
November 24th, 2010 28 Yes

Popular Name: (3R)-1-cyclopropyl-6,7-difluoro-N-[2-(1H-imidazol-5-yl)ethyl]-8-methoxy-4-oxo-2,3-dihydroquinoline-3 (3R)-1-cyclopropyl-6,7-difluoro-…

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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) 2.50 7.75 -68.19 3 7 0 95 390.39 6 ↓
Mid Mid (pH 6-8) 2.50 7.26 -59.57 2 7 -1 93 389.382 6 ↓
Lo Low (pH 4.5-6) 2.50 6.94 -47.3 4 7 1 92 391.398 6 ↓

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

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