UCSF

ZINC18144397

Substance Information

In ZINC since Heavy atoms Benign functionality
October 2nd, 2008 23 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) 5.41 8.5 -7.56 1 3 0 45 354.378 3
Hi High (pH 8-9.5) 5.87 6.69 -41.55 0 3 -1 48 353.37 3

Activity (Go SEA)

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