UCSF

ZINC39677906

Substance Information

In ZINC since Heavy atoms Benign functionality
March 3rd, 2010 38 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) 1.49 7.59 -53.29 3 8 1 82 520.698 7
Lo Low (pH 4.5-6) 1.49 9.86 -111.98 4 8 2 83 521.706 7

Activity (Go SEA)

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