UCSF

ZINC34378997

Substance Information

In ZINC since Heavy atoms Benign functionality
August 24th, 2009 22 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) 3.40 1.38 -8.95 2 5 0 76 333.287 5
Hi High (pH 8-9.5) 3.40 2.14 -40.91 1 5 -1 78 332.279 5
Hi High (pH 8-9.5) 3.40 1.42 -41.2 1 5 -1 78 332.279 5

Activity (Go SEA)

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