UCSF

ZINC20755521

Substance Information

In ZINC since Heavy atoms Benign functionality
November 28th, 2008 30 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) 2.09 11.12 -43.75 2 5 1 46 404.534 3
Mid Mid (pH 6-8) 2.09 8.73 -7.84 1 5 0 45 403.526 3

Activity (Go SEA)

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