UCSF

ZINC39750365

Substance Information

In ZINC since Heavy atoms Benign functionality
March 6th, 2010 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) 1.35 5.61 -25.13 3 11 0 144 491.599 10
Hi High (pH 8-9.5) 1.54 4.07 -54.6 2 11 -1 150 490.591 10

Activity (Go SEA)

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