UCSF

ZINC39550538

Substance Information

In ZINC since Heavy atoms Benign functionality
February 28th, 2010 32 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

Vendors

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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) 6.72 12.2 -12.38 1 5 0 56 426.516 4
Mid Mid (pH 6-8) 6.72 12.69 -33.16 2 5 1 58 427.524 4

Activity (Go SEA)

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