UCSF

ZINC66226752

Substance Information

In ZINC since Heavy atoms Benign functionality
August 21st, 2011 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) 4.65 8.04 -11.45 2 5 0 60 362.429 8
Lo Low (pH 4.5-6) 4.65 8.64 -46.38 3 5 1 64 363.437 8

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

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