UCSF

ZINC39127692

Substance Information

In ZINC since Heavy atoms Benign functionality
February 5th, 2010 25 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) 4.68 7.63 -49.6 2 6 -1 95 357.411 5

Activity (Go SEA)

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