UCSF

ZINC33701378

Substance Information

In ZINC since Heavy atoms Benign functionality
July 16th, 2009 31 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 13.5 -41.27 0 4 -1 60 430.911 5
Lo Low (pH 4.5-6) 5.26 12.37 -15.31 1 4 0 58 431.919 5

Activity (Go SEA)

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