UCSF

ZINC22567046

Substance Information

In ZINC since Heavy atoms Benign functionality
December 17th, 2008 14 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) 1.27 5.65 -110.26 4 3 2 47 195.31 1
Mid Mid (pH 6-8) 1.27 5.17 -43.58 3 3 1 45 194.302 1

Activity (Go SEA)

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