UCSF

ZINC17023010

Substance Information

In ZINC since Heavy atoms Benign functionality
September 12th, 2008 16 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) 2.25 2.02 -43.24 1 4 -1 69 211.2 0
Lo Low (pH 4.5-6) 2.25 0.91 -13.67 2 4 0 66 212.208 0

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

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