UCSF

ZINC41584793

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
April 21st, 2010 32 Yes

Popular Name: (3-benzyl-6-hydroxy-1,2-benzoxazol-7-yl)methylBLAHone (3-benzyl-6-hydroxy-1,2-benzoxaz…

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Download: MOL2 SDF SMILES Flexibase

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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) 4.15 11.71 -58.13 2 6 1 73 428.512 4 ↓
Hi High (pH 8-9.5) 4.15 12.29 -31.41 1 6 0 76 427.504 4 ↓
Hi High (pH 8-9.5) 4.15 10.14 -49.37 0 6 -1 74 426.496 4 ↓
Mid Mid (pH 6-8) 4.15 9.56 -27.48 1 6 0 72 427.504 4 ↓

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Rings

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

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