UCSF

ZINC61321805

Substance Information

In ZINC since Heavy atoms Benign functionality
April 8th, 2011 17 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) -1.08 -2.04 -9.07 3 8 0 116 234.219 3
Mid Mid (pH 6-8) -0.62 -3.71 -38.74 2 8 -1 120 233.211 3

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

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