UCSF

ZINC05850903

Substance Information

In ZINC since Heavy atoms Benign functionality
February 17th, 2006 26 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) 1.67 11.58 -83.92 1 5 0 65 368.355 4
Hi High (pH 8-9.5) 1.67 9.23 -52.28 0 5 -1 64 367.347 4

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

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