UCSF

ZINC19989003

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
November 14th, 2008 25 No

Popular Name: 4-fluoro-N-[1,4,5,6,7,8-hexahydrospiro(2H-3,1-benzothiazine-4,1'-cyclohexane)-2-ylidene]benzamide 4-fluoro-N-[1,4,5,6,7,8-hexahydr…

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Other Names:

MFCD00769634

Download: MOL2 SDF SMILES Flexibase

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) 5.50 9.1 -37.35 1 3 1 43 359.49 1 ↓
Hi High (pH 8-9.5) 5.71 9.05 -8.22 1 3 0 41 358.482 1 ↓
Mid Mid (pH 6-8) 5.55 10.03 -8.51 1 3 0 41 358.482 1 ↓

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

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