UCSF

ZINC55117129

Substance Information

In ZINC since Heavy atoms Benign functionality
December 11th, 2010 24 No

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) 2.32 5.31 -10.15 2 6 0 74 348.472 7
Lo Low (pH 4.5-6) 2.32 6.25 -23.56 3 6 0 75 349.48 7
Lo Low (pH 4.5-6) 2.32 6.09 -23.12 3 6 0 75 349.48 7

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

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