UCSF

ZINC85540310

Substance Information

In ZINC since Heavy atoms Benign functionality
February 19th, 2013 54 No

CAS Number: 96128-89-1

Download: MOL2 SDF SMILES Flexibase

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) 2.98 8.97 -49.25 5 15 1 201 776.982 9

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No pre-computed analogs available. Try a structural similarity search.