UCSF

ZINC33735935

Substance Information

In ZINC since Heavy atoms Benign functionality
July 17th, 2009 34 Yes

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) 4.22 8.05 -22.09 2 9 0 112 482.562 9
Hi High (pH 8-9.5) 4.41 7.02 -45.87 1 9 -1 118 481.554 9

Activity (Go SEA)

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