UCSF

ZINC59563996

Substance Information

In ZINC since Heavy atoms Benign functionality
March 7th, 2011 22 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) 3.03 8.37 -13.53 2 5 0 62 290.326 3
Mid Mid (pH 6-8) 3.20 8.54 -51.15 2 5 1 64 291.334 3

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

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