UCSF

ZINC37087902

Substance Information

In ZINC since Heavy atoms Benign functionality
November 20th, 2009 16 No

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) 1.74 6.81 -30.39 2 3 0 57 257.38 5
Mid Mid (pH 6-8) 1.74 5.91 -43.89 1 3 -1 52 256.372 5

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

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