UCSF

ZINC39675598

Substance Information

In ZINC since Heavy atoms Benign functionality
March 3rd, 2010 36 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) 2.66 10.75 -122.56 4 6 2 70 504.597 7
Hi High (pH 8-9.5) 2.66 8.56 -63.72 3 6 1 69 503.589 7

Activity (Go SEA)

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