UCSF

ZINC18193734

Substance Information

In ZINC since Heavy atoms Benign functionality
October 3rd, 2008 28 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) 5.26 6.54 -41.76 1 6 -1 83 462.345 7
Hi High (pH 8-9.5) 5.26 7.46 -93.29 0 6 -2 86 461.337 7
Hi High (pH 8-9.5) 5.75 8.11 -41.92 1 6 -1 87 462.345 6

Activity (Go SEA)

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