UCSF

ZINC22167232

Substance Information

In ZINC since Heavy atoms Benign functionality
December 13th, 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) 0.78 3.37 -95.44 4 3 2 35 201.358 5
Mid Mid (pH 6-8) 0.78 2.91 -121.14 4 3 2 35 201.358 5
Mid Mid (pH 6-8) 0.78 1.07 -41.02 3 3 1 34 200.35 5

Activity (Go SEA)

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