UCSF

ZINC43500731

Substance Information

In ZINC since Heavy atoms Benign functionality
May 14th, 2010 12 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) -0.38 -0.85 -44.69 3 4 1 49 172.252 4
Lo Low (pH 4.5-6) -0.38 1.4 -122.75 4 4 2 50 173.26 4

Activity (Go SEA)

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