UCSF

ZINC13407913

Substance Information

In ZINC since Heavy atoms Benign functionality
June 18th, 2008 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) 1.58 2.03 -41.45 2 8 -1 127 341.394 5
Hi High (pH 8-9.5) 2.04 1.9 -115.02 1 8 -2 130 340.386 5
Lo Low (pH 4.5-6) 1.58 1.08 -15.17 3 8 0 125 342.402 5

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

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