UCSF

ZINC39675100

Substance Information

In ZINC since Heavy atoms Benign functionality
March 3rd, 2010 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) 1.81 8.11 -63.8 3 8 1 93 468.622 8
Lo Low (pH 4.5-6) 1.81 8.24 -103.92 4 8 2 94 469.63 8

Activity (Go SEA)

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