UCSF

ZINC03982258

Substance Information

In ZINC since Heavy atoms Benign functionality
October 29th, 2005 27 No

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) -0.57 2.05 -30.67 5 10 0 146 377.401 8
Lo Low (pH 4.5-6) -0.57 1.79 -53.67 6 10 1 148 378.409 8
Lo Low (pH 4.5-6) -0.57 1.88 -52.71 6 10 1 148 378.409 8

Activity (Go SEA)

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