UCSF

ZINC70691794

Substance Information

In ZINC since Heavy atoms Benign functionality
November 23rd, 2011 35 Yes

CAS Number: 509-20-6

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) -1.15 -3.08 -28.4 6 10 1 143 500.609 6
Hi High (pH 8-9.5) -1.15 -3.82 -9.52 5 10 0 141 499.601 6

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

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