UCSF

ZINC39676278

Substance Information

In ZINC since Heavy atoms Benign functionality
March 3rd, 2010 36 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) 2.41 8.5 -61.42 4 8 1 112 488.612 6
Hi High (pH 8-9.5) 2.86 5.9 -67.84 3 8 0 115 487.604 6

Activity (Go SEA)

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