UCSF

ZINC62935689

Substance Information

In ZINC since Heavy atoms Benign functionality
May 19th, 2011 21 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) 1.53 7.75 -44.89 1 6 0 84 288.303 3
Mid Mid (pH 6-8) 1.53 5.25 -55.45 0 6 -1 82 287.295 3

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

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