UCSF

ZINC20495785

Substance Information

In ZINC since Heavy atoms Benign functionality
November 23rd, 2008 14 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) 1.48 7.01 -41.45 1 3 1 25 199.318 2
Hi High (pH 8-9.5) 1.48 4.5 -7.16 0 3 0 24 198.31 2

Activity (Go SEA)

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