UCSF

ZINC26516678

Substance Information

In ZINC since Heavy atoms Benign functionality
February 7th, 2009 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) 2.02 2.96 -42.59 3 2 1 31 197.346 1
Mid Mid (pH 6-8) 2.02 4.93 -33.15 3 2 1 30 197.346 1

Activity (Go SEA)

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