UCSF

ZINC34596233

Substance Information

In ZINC since Heavy atoms Benign functionality
September 1st, 2009 10 No

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) 1.17 4.4 -40.8 1 2 1 22 140.206 1
Hi High (pH 8-9.5) 1.17 1.98 -4.31 0 2 0 20 139.198 1

Activity (Go SEA)

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