UCSF

ZINC64858426

Substance Information

In ZINC since Heavy atoms Benign functionality
June 27th, 2011 17 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) -2.60 -5.56 -33.96 5 8 0 132 239.235 2
Hi High (pH 8-9.5) -2.60 -6.57 -41.2 4 8 -1 130 238.227 2

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

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