UCSF

ZINC43076935

Substance Information

In ZINC since Heavy atoms Benign functionality
May 7th, 2010 35 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) 4.68 9.83 -11.1 1 7 0 91 474.557 3
Lo Low (pH 4.5-6) 4.68 10.23 -40.5 2 7 1 92 475.565 3

Activity (Go SEA)

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