UCSF

ZINC54416914

Substance Information

In ZINC since Heavy atoms Benign functionality
December 3rd, 2010 15 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) 1.00 3.33 -44.7 3 3 1 44 209.313 5
Mid Mid (pH 6-8) 1.00 5.67 -116.21 4 3 2 45 210.321 5

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

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