UCSF

ZINC41466499

Substance Information

In ZINC since Heavy atoms Benign functionality
April 20th, 2010 15 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) 1.37 2.02 -8.78 0 4 0 41 234.365 5
Mid Mid (pH 6-8) 1.37 4.23 -43.23 1 4 1 42 235.373 5

Activity (Go SEA)

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