UCSF

ZINC36701106

Substance Information

In ZINC since Heavy atoms Benign functionality
November 12th, 2009 23 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) 1.65 5.98 -14.7 1 5 0 60 330.409 5
Lo Low (pH 4.5-6) 1.65 6.44 -48.91 2 5 1 62 331.417 5

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

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