UCSF

ZINC98175566

Substance Information

In ZINC since Heavy atoms Benign functionality
September 4th, 2014 13 No

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) -0.21 2.24 -35.47 2 7 -1 125 182.115 2
Lo Low (pH 4.5-6) -0.21 2.7 -39.63 3 7 0 126 183.123 2

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

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