UCSF

ZINC19725884

Substance Information

In ZINC since Heavy atoms Benign functionality
November 8th, 2008 19 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) 2.17 8.48 -96.11 3 3 2 24 263.429 5
Hi High (pH 8-9.5) 2.17 7.09 -33.56 2 3 1 20 262.421 5
Hi High (pH 8-9.5) 2.17 6.44 -42.39 2 3 1 23 262.421 5

Activity (Go SEA)

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