UCSF

ZINC34958946

Substance Information

In ZINC since Heavy atoms Benign functionality
October 1st, 2009 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) 0.55 3.7 -44.49 3 3 1 46 273.15 2
Hi High (pH 8-9.5) 0.55 3.38 -4.75 2 3 0 44 272.142 2

Activity (Go SEA)

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