UCSF

ZINC24871850

Substance Information

In ZINC since Heavy atoms Benign functionality
January 22nd, 2009 34 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) 3.51 9.83 -17.65 2 7 0 74 458.562 7
Mid Mid (pH 6-8) 3.51 12.1 -59.54 3 7 1 75 459.57 7

Activity (Go SEA)

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