UCSF

ZINC98092084

Substance Information

In ZINC since Heavy atoms Benign functionality
August 14th, 2014 0 No

CAS Number: 200116-81-0

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) -0.22 5.48 -89.81 6 9 1 149 427.547 9
Hi High (pH 8-9.5) -0.22 5.75 -62.33 5 9 0 151 426.539 9
Hi High (pH 8-9.5) -0.22 5.17 -71.31 5 9 0 148 426.539 9

Activity (Go SEA)

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

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