UCSF

ZINC33590357

Substance Information

In ZINC since Heavy atoms Benign functionality
July 13th, 2009 26 No

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) 4.62 9.91 -15.79 1 9 0 134 457.649 4
Mid Mid (pH 6-8) 4.69 8.99 -30.99 0 9 -1 140 456.641 4

Activity (Go SEA)

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