UCSF

ZINC34668666

Substance Information

In ZINC since Heavy atoms Benign functionality
September 18th, 2009 28 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) 3.05 8.58 -51.04 2 6 1 59 404.918 6
Mid Mid (pH 6-8) 3.05 6.36 -9.23 1 6 0 58 403.91 6

Activity (Go SEA)

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