UCSF

ZINC13426848

Substance Information

In ZINC since Heavy atoms Benign functionality
June 19th, 2008 32 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) 4.83 10.76 -12.09 0 7 0 83 437.492 9
Mid Mid (pH 6-8) 5.01 10.49 -10.47 0 7 0 83 437.492 9
Mid Mid (pH 6-8) 5.01 11.33 -24.59 0 7 0 83 437.492 9
Mid Mid (pH 6-8) 4.83 10.69 -11.03 0 7 0 83 437.492 9

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

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