UCSF

ZINC43388120

Substance Information

In ZINC since Heavy atoms Benign functionality
May 13th, 2010 17 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) 1.37 4.94 -47.6 3 2 1 41 255.313 2
Mid Mid (pH 6-8) 1.37 4.6 -4.32 2 2 0 39 254.305 2

Activity (Go SEA)

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