UCSF

ZINC34949402

Substance Information

In ZINC since Heavy atoms Benign functionality
October 1st, 2009 35 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) 5.07 10.23 -11.1 1 5 0 45 507.45 9
Mid Mid (pH 6-8) 5.07 12.5 -39.34 2 5 1 46 508.458 9

Activity (Go SEA)

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