UCSF

ZINC19671529

Substance Information

In ZINC since Heavy atoms Benign functionality
November 6th, 2008 20 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) 3.75 7.92 -52.58 3 2 1 37 274.359 4
Hi High (pH 8-9.5) 3.75 7.63 -4.95 2 2 0 35 273.351 4

Activity (Go SEA)

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