UCSF

ZINC40124672

Substance Information

In ZINC since Heavy atoms Benign functionality
March 24th, 2010 28 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) 4.40 7.96 -56.85 1 5 -1 82 374.416 4
Mid Mid (pH 6-8) 4.40 7.2 -10.93 2 5 0 80 375.424 4

Activity (Go SEA)

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