UCSF

ZINC19685223

Substance Information

In ZINC since Heavy atoms Benign functionality
November 6th, 2008 15 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) 1.17 3.34 -50.68 2 3 1 44 208.329 1
Hi High (pH 8-9.5) 1.17 1.96 -4.99 1 3 0 39 207.321 1

Activity (Go SEA)

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