UCSF

ZINC04806446

Substance Information

In ZINC since Heavy atoms Benign functionality
January 5th, 2006 31 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) -3.54 -3.9 -366.55 4 18 -4 290 503.15 8
Mid Mid (pH 6-8) -3.54 -5.05 -229.16 5 18 -3 288 504.158 8

Activity (Go SEA)

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