UCSF

ZINC37799556

Substance Information

In ZINC since Heavy atoms Benign functionality
December 1st, 2009 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) 0.23 1.77 -44.37 3 5 1 60 270.397 5
Hi High (pH 8-9.5) 0.23 1.42 -8.45 2 5 0 59 269.389 5
Mid Mid (pH 6-8) 0.23 4.05 -100.38 4 5 2 62 271.405 5

Activity (Go SEA)

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