UCSF

ZINC43425954

Substance Information

In ZINC since Heavy atoms Benign functionality
May 13th, 2010 13 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) -0.60 4.61 -27.36 1 4 0 54 185.223 2
Mid Mid (pH 6-8) -0.60 2.48 -44.5 0 4 -1 53 184.215 2

Activity (Go SEA)

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