UCSF

ZINC05452344

Substance Information

In ZINC since Heavy atoms Benign functionality
February 2nd, 2006 29 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) 5.07 12.07 -10.31 1 4 0 47 403.913 6

Activity (Go SEA)

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