UCSF

ZINC04098319

Substance Information

In ZINC since Heavy atoms Benign functionality
November 7th, 2005 20 Yes

CAS Number: 1226-22-8

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) 1.28 -4.79 -8.63 3 5 0 86 272.256 1

Vendor Notes

Note Type Comments Provided By
UniProt Database Links DFRA_MALDO; DFRA_PYRCO ChEBI

Activity (Go SEA)

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