UCSF

ZINC34667636

Substance Information

In ZINC since Heavy atoms Benign functionality
September 18th, 2009 33 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) 2.77 8.58 -15.86 1 8 0 84 446.507 6
Mid Mid (pH 6-8) 2.77 8.93 -45.4 2 8 1 85 447.515 6

Activity (Go SEA)

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