UCSF

ZINC23197186

Substance Information

In ZINC since Heavy atoms Benign functionality
December 27th, 2008 27 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) 4.29 10.93 -43.92 2 5 1 52 371.501 10
Hi High (pH 8-9.5) 4.29 8.97 -12.06 1 5 0 51 370.493 10

Activity (Go SEA)

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