UCSF

ZINC19927160

Substance Information

In ZINC since Heavy atoms Benign functionality
November 13th, 2008 31 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) 3.10 7.94 -43.91 4 11 1 142 424.489 7
Hi High (pH 8-9.5) 3.10 5.4 -16.74 3 11 0 140 423.481 7

Activity (Go SEA)

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