UCSF

ZINC22149532

Substance Information

In ZINC since Heavy atoms Benign functionality
December 13th, 2008 16 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) 2.24 2.51 -45.09 1 5 -1 86 262.694 4
Mid Mid (pH 6-8) 2.24 2.57 -110.58 0 5 -2 88 261.686 4

Activity (Go SEA)

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