UCSF

ZINC41045233

Substance Information

In ZINC since Heavy atoms Benign functionality
April 15th, 2010 14 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) -0.29 2.46 -10.83 1 4 0 49 193.25 1
Mid Mid (pH 6-8) -0.29 2.56 -29.16 2 4 1 50 194.258 1

Activity (Go SEA)

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