UCSF

ZINC42456744

Substance Information

In ZINC since Heavy atoms Benign functionality
April 29th, 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) 1.14 3.43 -33.7 3 3 1 55 196.318 3
Mid Mid (pH 6-8) 1.14 5.19 -115.32 4 3 2 56 197.326 3

Activity (Go SEA)

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