UCSF

ZINC21537338

Substance Information

In ZINC since Heavy atoms Benign functionality
December 6th, 2008 27 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) 1.29 5.65 -27.78 2 10 0 131 403.449 6
Hi High (pH 8-9.5) 1.94 3.87 -103.23 0 10 -2 140 401.433 6

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

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