UCSF

ZINC41665728

Substance Information

In ZINC since Heavy atoms Benign functionality
April 21st, 2010 20 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) 2.72 6.17 -48.7 3 2 1 31 265.38 1
Mid Mid (pH 6-8) 2.72 8.31 -106.47 4 2 2 32 266.388 1

Activity (Go SEA)

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