UCSF

ZINC60256295

Substance Information

In ZINC since Heavy atoms Benign functionality
March 17th, 2011 34 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) 0.25 12.46 -94.92 2 6 2 49 487.019 7
Hi High (pH 8-9.5) 0.25 11.12 -37.17 1 6 1 45 486.011 7

Activity (Go SEA)

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