UCSF

ZINC43407809

Substance Information

In ZINC since Heavy atoms Benign functionality
May 13th, 2010 21 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) 0.63 6.15 -26.57 4 6 1 85 291.375 6
Mid Mid (pH 6-8) 0.63 4.93 -7.85 3 6 0 84 290.367 6

Activity (Go SEA)

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