UCSF

ZINC56955815

Substance Information

In ZINC since Heavy atoms Benign functionality
January 12th, 2011 20 Yes

CAS Number: 28861-00-9

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) -1.48 2.01 -59.25 3 7 -1 114 281.288 6

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