UCSF

ZINC16661661

Substance Information

In ZINC since Heavy atoms Benign functionality
September 3rd, 2008 32 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) 2.77 6.75 -16.6 1 8 0 80 439.512 7
Mid Mid (pH 6-8) 2.77 9.02 -53.27 2 8 1 82 440.52 7

Activity (Go SEA)

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