UCSF

ZINC39676154

Substance Information

In ZINC since Heavy atoms Benign functionality
March 3rd, 2010 34 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) 1.33 7.29 -67.6 4 8 1 112 480.976 4
Hi High (pH 8-9.5) 1.79 4.7 -85.09 3 8 0 115 479.968 4

Activity (Go SEA)

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