UCSF

ZINC62974299

Substance Information

In ZINC since Heavy atoms Benign functionality
May 20th, 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) 1.57 3.5 -31.05 2 3 1 20 240.415 4
Hi High (pH 8-9.5) 1.57 2.66 -36.07 2 3 1 23 240.415 4
Hi High (pH 8-9.5) 1.57 1.38 -0.8 1 3 0 19 239.407 4
Mid Mid (pH 6-8) 1.57 4.77 -87.49 3 3 2 24 241.423 4

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

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