UCSF

ZINC49412074

Substance Information

In ZINC since Heavy atoms Benign functionality
September 28th, 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) 3.36 6.77 -7.91 1 3 0 46 258.227 1
Hi High (pH 8-9.5) 3.81 4.95 -45.04 0 3 -1 49 257.219 1

Activity (Go SEA)

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