UCSF

ZINC22073526

Substance Information

In ZINC since Heavy atoms Benign functionality
December 12th, 2008 15 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

None

Vendors

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) 2.78 6.34 -35.82 2 2 1 20 213.389 6
Mid Mid (pH 6-8) 2.78 8.25 -111.52 3 2 2 21 214.397 6
Mid Mid (pH 6-8) 2.78 6.89 -27.24 2 2 1 16 213.389 6

Activity (Go SEA)

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