UCSF

ZINC23692417

Substance Information

In ZINC since Heavy atoms Benign functionality
January 6th, 2009 22 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) 1.79 5.78 -17.8 1 5 0 60 300.358 7
Lo Low (pH 4.5-6) 1.79 6.16 -45.67 2 5 1 62 301.366 7

Activity (Go SEA)

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