UCSF

ZINC23108825

Substance Information

In ZINC since Heavy atoms Benign functionality
December 25th, 2008 33 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) 3.54 8.34 -13 1 7 0 69 448.567 8
Lo Low (pH 4.5-6) 3.54 10.28 -48.85 2 7 1 70 449.575 8

Activity (Go SEA)

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