UCSF

ZINC49557835

Substance Information

In ZINC since Heavy atoms Benign functionality
October 6th, 2010 15 Yes

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) 2.05 7.98 -40.26 1 2 1 22 204.293 2
Hi High (pH 8-9.5) 2.05 5.77 -4.24 0 2 0 20 203.285 2

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

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