UCSF

ZINC61321454

Substance Information

In ZINC since Heavy atoms Benign functionality
April 8th, 2011 14 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) -0.20 1.05 -8.59 0 4 0 46 191.234 2
Mid Mid (pH 6-8) -0.20 3.5 -45.08 1 4 1 47 192.242 2

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

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