UCSF

ZINC09262897

Substance Information

In ZINC since Heavy atoms Benign functionality
August 16th, 2007 30 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) 5.29 11.08 -61.43 1 7 -1 100 418.454 5
Ref Reference (pH 7) 5.29 10.67 -60.49 1 7 -1 100 418.454 5

Activity (Go SEA)

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