UCSF

ZINC13682672

Substance Information

In ZINC since Heavy atoms Benign functionality
June 23rd, 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) 0.63 -0.43 -29.91 3 7 0 104 354.41 5
Mid Mid (pH 6-8) 0.63 0.65 -31.68 4 7 1 105 355.418 5

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

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