UCSF

ZINC41529265

Substance Information

In ZINC since Heavy atoms Benign functionality
April 20th, 2010 16 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) 0.51 2.3 -37.2 2 5 1 65 258.348 4
Hi High (pH 8-9.5) 0.51 1.94 -31.9 1 5 0 67 257.34 4
Hi High (pH 8-9.5) 0.51 1.85 -15.05 1 5 0 64 257.34 4

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

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