UCSF

ZINC62321876

Substance Information

In ZINC since Heavy atoms Benign functionality
April 29th, 2011 28 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

None

Vendors

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) 1.80 4.28 -40.41 3 8 1 98 389.476 11
Hi High (pH 8-9.5) 2.26 0.02 -51.28 1 8 -1 100 387.46 11
Mid Mid (pH 6-8) 2.26 2.56 -61.5 2 8 0 101 388.468 11

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

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