UCSF

ZINC39326724

Substance Information

In ZINC since Heavy atoms Benign functionality
February 12th, 2010 35 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) 5.85 12.04 -13.02 2 6 0 89 505.665 6
Lo Low (pH 4.5-6) 5.85 12.41 -57.11 3 6 1 90 506.673 6

Activity (Go SEA)

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