UCSF

ZINC20180933

Substance Information

In ZINC since Heavy atoms Benign functionality
November 18th, 2008 17 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) 1.14 4.69 -13.58 0 4 0 47 237.347 5
Lo Low (pH 4.5-6) 1.14 7.02 -61.79 1 4 1 49 238.355 5

Activity (Go SEA)

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