UCSF

ZINC12233165

Substance Information

In ZINC since Heavy atoms Benign functionality
April 5th, 2008 31 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) 3.52 -0.3 -13.25 1 7 0 82 431.521 4

Activity (Go SEA)

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