UCSF

ZINC52533108

Substance Information

In ZINC since Heavy atoms Benign functionality
November 10th, 2010 26 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) 2.44 7.4 -39.67 2 6 1 61 363.478 8
Mid Mid (pH 6-8) 2.44 5.23 -10.94 1 6 0 60 362.47 8

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

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