UCSF

ZINC09067197

Substance Information

In ZINC since Heavy atoms Benign functionality
August 7th, 2007 37 No

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) 5.42 12.34 -61.67 0 7 -1 92 517.558 6
Mid Mid (pH 6-8) 5.86 11.84 -24.44 1 7 0 89 518.566 5

Activity (Go SEA)

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