UCSF

ZINC01569513

Substance Information

In ZINC since Heavy atoms Benign functionality
October 7th, 2004 24 Yes

CAS Number: 40093-94-5

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) 5.49 7.8 -43.21 3 3 1 45 452.166 4

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