UCSF

ZINC59202252

Substance Information

In ZINC since Heavy atoms Benign functionality
February 27th, 2011 13 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) 0.14 -2.71 -46.23 1 5 -1 82 177.139 1
Lo Low (pH 4.5-6) -0.32 -0.15 -10.44 2 5 0 79 178.147 1

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

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