UCSF

ZINC41584788

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
April 21st, 2010 33 Yes

Popular Name: [3-[(2-fluorophenyl)methyl]-6-hydroxy-1,2-benzoxazol-7-yl]methylBLAHone [3-[(2-fluorophenyl)methyl]-6-hy…

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Download: MOL2 SDF SMILES Flexibase

Annotations

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Vendors

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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) 4.26 11.59 -54.82 2 6 1 73 446.502 4 ↓
Hi High (pH 8-9.5) 4.26 12.16 -31.71 1 6 0 76 445.494 4 ↓
Hi High (pH 8-9.5) 4.26 10.01 -49.69 0 6 -1 74 444.486 4 ↓
Mid Mid (pH 6-8) 4.26 9.43 -23.93 1 6 0 72 445.494 4 ↓

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Rings

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

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