UCSF

ZINC50064711

Substance Information

In ZINC since Heavy atoms Benign functionality
October 15th, 2010 19 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) -0.55 4.77 -12.35 4 8 0 120 266.305 5
Mid Mid (pH 6-8) -0.55 6.65 -34.96 5 8 1 121 267.313 5

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

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