UCSF

ZINC05202632

Substance Information

In ZINC since Heavy atoms Benign functionality
January 25th, 2006 19 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

Vendors

    None

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) 1.55 8.43 -42.03 1 3 1 25 279.36 1
Mid Mid (pH 6-8) 1.55 6.08 -9.77 0 3 0 24 278.352 1

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