UCSF

ZINC42819005

Substance Information

In ZINC since Heavy atoms Benign functionality
May 4th, 2010 18 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) 0.14 1.57 -40.82 3 5 1 65 262.37 10
Hi High (pH 8-9.5) 0.14 0.17 -7.32 2 5 0 60 261.362 10

Activity (Go SEA)

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