UCSF

ZINC39230502

Substance Information

In ZINC since Heavy atoms Benign functionality
February 9th, 2010 29 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) 3.90 9.74 -37.6 4 6 1 74 388.495 5
Hi High (pH 8-9.5) 3.90 8.51 -10.57 3 6 0 69 387.487 5

Activity (Go SEA)

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