UCSF

ZINC39284902

Substance Information

In ZINC since Heavy atoms Benign functionality
February 11th, 2010 11 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) 2.36 6.34 -43.9 0 2 -1 40 153.201 2

Activity (Go SEA)

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