UCSF

ZINC40777853

Substance Information

In ZINC since Heavy atoms Benign functionality
April 12th, 2010 32 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) 2.57 7.04 -16.74 0 8 0 72 437.496 4
Lo Low (pH 4.5-6) 2.57 9.27 -61.51 1 8 1 73 438.504 4

Activity (Go SEA)

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