UCSF

ZINC36359374

Substance Information

In ZINC since Heavy atoms Benign functionality
October 27th, 2009 23 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) 3.37 10.92 -9.09 1 4 0 47 323.783 2
Lo Low (pH 4.5-6) 3.56 8.71 -34.24 2 4 1 52 324.791 2

Activity (Go SEA)

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