UCSF

ZINC38407959

Substance Information

In ZINC since Heavy atoms Benign functionality
January 22nd, 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) 1.65 5.31 -56.2 2 10 -1 138 530.594 10
Lo Low (pH 4.5-6) 1.65 7.76 -86.83 3 10 0 139 531.602 10

Activity (Go SEA)

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