UCSF

ZINC43403268

Substance Information

In ZINC since Heavy atoms Benign functionality
May 13th, 2010 14 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) -0.47 -1.51 -99.23 6 5 2 94 218.326 5
Hi High (pH 8-9.5) -0.47 -1.76 -51.7 5 5 1 93 217.318 5

Activity (Go SEA)

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