UCSF

ZINC34686452

Substance Information

In ZINC since Heavy atoms Benign functionality
September 22nd, 2009 24 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) 1.88 5.86 -52.28 2 6 1 65 337.44 7
Hi High (pH 8-9.5) 1.88 4.49 -13.74 1 6 0 60 336.432 7

Activity (Go SEA)

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