UCSF

ZINC39023199

Substance Information

In ZINC since Heavy atoms Benign functionality
February 3rd, 2010 20 No

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) 2.51 -0.71 -13.41 4 5 0 98 272.256 3
Hi High (pH 8-9.5) 2.51 0.06 -48.07 3 5 -1 101 271.248 3

Activity (Go SEA)

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