UCSF

ZINC34970958

Substance Information

In ZINC since Heavy atoms Benign functionality
October 2nd, 2009 33 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) 3.87 6.85 -13.54 2 8 0 83 517.424 6
Mid Mid (pH 6-8) 3.87 8.72 -56.89 3 8 1 84 518.432 6

Activity (Go SEA)

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