UCSF

ZINC57728286

Substance Information

In ZINC since Heavy atoms Benign functionality
January 24th, 2011 29 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) 4.19 8.16 -93.5 2 7 0 82 395.483 9
Mid Mid (pH 6-8) 4.19 8.09 -13.96 1 7 0 80 394.475 9

Activity (Go SEA)

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