UCSF

ZINC62951758

Substance Information

In ZINC since Heavy atoms Benign functionality
May 20th, 2011 20 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) 2.19 7.23 -27.61 3 3 1 43 276.448 5
Mid Mid (pH 6-8) 2.19 6.59 -31.99 3 3 1 44 276.448 5
Lo Low (pH 4.5-6) 2.19 5.74 -101.47 4 3 2 45 277.456 5

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

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