UCSF

ZINC13282359

Substance Information

In ZINC since Heavy atoms Benign functionality
June 14th, 2008 31 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) 7.52 13.76 -24.75 2 4 1 56 402.477 2
Lo Low (pH 4.5-6) 7.52 14.28 -81.64 3 4 2 57 403.485 2
Lo Low (pH 4.5-6) 7.52 12.62 -78.7 3 4 2 57 403.485 2

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

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