UCSF

ZINC43425573

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) 0.69 4.24 -8.24 3 6 0 84 290.367 2
Mid Mid (pH 6-8) 0.69 4.66 -33.05 4 6 1 85 291.375 2

Activity (Go SEA)

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