UCSF

ZINC85551951

Substance Information

In ZINC since Heavy atoms Benign functionality
February 20th, 2013 50 No

CAS Number: 3036-82-6

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) 9.11 25.67 -73.88 3 11 -1 179 734.973 40
Hi High (pH 8-9.5) 9.11 25.34 -108.54 2 11 -2 177 733.965 40

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

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