UCSF

ZINC36734335

Substance Information

In ZINC since Heavy atoms Benign functionality
November 13th, 2009 20 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) 2.26 4.26 -8.63 2 5 0 59 293.754 3
Lo Low (pH 4.5-6) 2.26 4.39 -33.42 3 5 1 60 294.762 3

Activity (Go SEA)

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