UCSF

ZINC43703849

Substance Information

In ZINC since Heavy atoms Benign functionality
May 17th, 2010 21 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) 0.64 6.37 -61.78 2 6 0 83 296.298 5
Mid Mid (pH 6-8) 0.64 4.1 -53.49 1 6 -1 82 295.29 5

Activity (Go SEA)

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