UCSF

ZINC66055370

Substance Information

In ZINC since Heavy atoms Benign functionality
August 18th, 2011 12 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) 1.54 1.32 -50.28 1 4 -1 61 164.14 1
Lo Low (pH 4.5-6) 1.54 -0.67 -8.89 2 4 0 59 165.148 1

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

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