UCSF

ZINC13563552

Substance Information

In ZINC since Heavy atoms Benign functionality
June 21st, 2008 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) 1.56 3.54 -10.87 2 6 0 72 284.319 5
Mid Mid (pH 6-8) 1.56 3.64 -32.13 3 6 1 73 285.327 5

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

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