UCSF

ZINC39956276

Substance Information

In ZINC since Heavy atoms Benign functionality
March 19th, 2010 14 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 4.02 -40.86 0 5 -1 79 189.15 2
Lo Low (pH 4.5-6) 0.55 4.48 -50.05 1 5 0 80 190.158 2

Activity (Go SEA)

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