UCSF

ZINC88466156

Substance Information

In ZINC since Heavy atoms Benign functionality
April 4th, 2013 20 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) 1.57 4.59 -46.22 2 5 1 59 292.384 3
Hi High (pH 8-9.5) 1.57 3.43 -14.29 1 5 0 54 291.376 3
Lo Low (pH 4.5-6) 1.57 5.06 -92.58 3 5 2 60 293.392 3

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

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