UCSF

ZINC54799207

Substance Information

In ZINC since Heavy atoms Benign functionality
December 8th, 2010 25 No

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) 2.25 5.09 -19.71 2 8 0 115 349.387 6
Mid Mid (pH 6-8) 2.25 5.85 -41.85 1 8 -1 118 348.379 6

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

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