UCSF

ZINC42163936

Substance Information

In ZINC since Heavy atoms Benign functionality
April 25th, 2010 19 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) 3.14 7.79 -34.54 2 3 1 34 258.389 3
Mid Mid (pH 6-8) 3.14 8.67 -88.5 3 3 2 36 259.397 3

Activity (Go SEA)

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