UCSF

ZINC42678485

Substance Information

In ZINC since Heavy atoms Benign functionality
May 3rd, 2010 20 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) 1.62 4.8 -12.03 0 4 0 50 298.314 4
Lo Low (pH 4.5-6) 1.62 5.26 -40.94 1 4 1 52 299.322 4

Activity (Go SEA)

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