UCSF

ZINC38596786

Substance Information

In ZINC since Heavy atoms Benign functionality
January 27th, 2010 29 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

None

Vendors

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) 3.13 9.78 -103.34 3 8 2 100 468.348 8
Hi High (pH 8-9.5) 3.13 7.64 -33.94 2 8 1 99 467.34 8

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

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