UCSF

ZINC22167833

Substance Information

In ZINC since Heavy atoms Benign functionality
December 13th, 2008 15 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) 1.43 3.66 -28.91 3 3 1 43 206.313 2
Hi High (pH 8-9.5) 1.43 3.39 -5.07 2 3 0 42 205.305 2
Mid Mid (pH 6-8) 1.43 3.77 -51.37 3 3 1 44 206.313 2

Activity (Go SEA)

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