UCSF

ZINC34668204

Substance Information

In ZINC since Heavy atoms Benign functionality
September 18th, 2009 36 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) 5.43 11.56 -11.1 1 5 0 45 517.979 8
Mid Mid (pH 6-8) 5.43 13.77 -43.74 2 5 1 46 518.987 8

Activity (Go SEA)

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