UCSF

ZINC50032114

Substance Information

In ZINC since Heavy atoms Benign functionality
October 15th, 2010 26 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) 0.90 7.47 -45.55 2 8 1 93 368.454 12
Hi High (pH 8-9.5) 0.90 5.83 -17.55 1 8 0 92 367.446 12

Activity (Go SEA)

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