UCSF

ZINC25448072

Substance Information

In ZINC since Heavy atoms Benign functionality
January 29th, 2009 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) 4.56 7.51 -50.36 1 6 -1 90 452.512 6
Mid Mid (pH 6-8) 4.56 7.45 -20.69 2 6 0 88 453.52 6

Activity (Go SEA)

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