UCSF

ZINC61326882

Substance Information

In ZINC since Heavy atoms Benign functionality
April 8th, 2011 15 Yes

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) -0.14 3.64 -28.44 4 3 1 56 220.321 1
Hi High (pH 8-9.5) -0.14 3.05 -7.85 3 3 0 55 219.313 1
Mid Mid (pH 6-8) -0.14 3.37 -44.98 4 3 1 56 220.321 1

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

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