UCSF

ZINC41626344

Substance Information

In ZINC since Heavy atoms Benign functionality
April 21st, 2010 22 No

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) 1.82 7.19 -44.28 2 5 1 54 308.377 6
Hi High (pH 8-9.5) 1.82 4.88 -9.57 1 5 0 53 307.369 6

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

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