UCSF

ZINC19880272

Substance Information

In ZINC since Heavy atoms Benign functionality
November 12th, 2008 26 Yes

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) 3.61 9.73 -40.54 2 4 1 33 350.486 6
Mid Mid (pH 6-8) 3.61 7.48 -6.85 1 4 0 32 349.478 6

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

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