UCSF

ZINC33780957

Substance Information

In ZINC since Heavy atoms Benign functionality
July 19th, 2009 37 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) 4.96 11.92 -45.02 1 7 -1 99 500.571 11
Lo Low (pH 4.5-6) 4.96 10.79 -21.19 2 7 0 96 501.579 11

Activity (Go SEA)

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