UCSF

ZINC05982237

Substance Information

In ZINC since Heavy atoms Benign functionality
February 21st, 2006 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) 4.69 12.27 -9.42 1 4 0 47 411.958 7
Mid Mid (pH 6-8) 4.69 12.59 -37.97 2 4 1 48 412.966 7

Activity (Go SEA)

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