UCSF

ZINC23014165

Substance Information

In ZINC since Heavy atoms Benign functionality
December 23rd, 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) 2.86 9.01 -46.47 2 6 1 69 392.907 7
Hi High (pH 8-9.5) 2.86 6.66 -10.95 1 6 0 68 391.899 7

Activity (Go SEA)

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