UCSF

ZINC38534190

Substance Information

In ZINC since Heavy atoms Benign functionality
January 26th, 2010 30 Yes

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) 4.58 5.07 -40.29 1 7 -1 89 423.928 8
Lo Low (pH 4.5-6) 4.58 5.09 -8.8 2 7 0 90 424.936 8

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

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