UCSF

ZINC05913860

Substance Information

In ZINC since Heavy atoms Benign functionality
February 18th, 2006 22 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) 2.67 4.9 -47.2 3 4 1 54 298.362 1
Mid Mid (pH 6-8) 2.67 2.56 -9.59 2 4 0 53 297.354 1

Activity (Go SEA)

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