UCSF

ZINC26290250

Substance Information

In ZINC since Heavy atoms Benign functionality
February 5th, 2009 33 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) 3.54 10.1 -15.02 1 6 0 71 461.587 5
Lo Low (pH 4.5-6) 3.54 10.99 -38.37 2 6 1 73 462.595 5

Activity (Go SEA)

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