UCSF

ZINC13354667

Substance Information

In ZINC since Heavy atoms Benign functionality
June 17th, 2008 10 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) -0.18 2.09 -12.69 3 5 0 80 135.13 0
Mid Mid (pH 6-8) -0.18 2.57 -32.77 4 5 1 82 136.138 0
Lo Low (pH 4.5-6) -0.18 2.55 -33.35 4 5 1 82 136.138 0

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

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