UCSF

ZINC62319917

Substance Information

In ZINC since Heavy atoms Benign functionality
April 29th, 2011 21 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) -0.44 2.02 -32.39 5 6 1 91 286.359 4
Hi High (pH 8-9.5) -0.44 0.94 -11.35 4 6 0 90 285.351 4
Mid Mid (pH 6-8) -0.44 1.66 -96.53 6 6 2 93 287.367 4

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

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