UCSF

ZINC22750129

Substance Information

In ZINC since Heavy atoms Benign functionality
December 20th, 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) 4.40 12.04 -14.78 1 5 0 56 429.545 5
Lo Low (pH 4.5-6) 4.40 12.47 -33.34 2 5 1 57 430.553 5

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

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