UCSF

ZINC45685240

Substance Information

In ZINC since Heavy atoms Benign functionality
August 2nd, 2010 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) 0.76 2.17 -45 3 5 1 59 285.408 1
Lo Low (pH 4.5-6) 0.76 3.89 -122.77 4 5 2 60 286.416 1

Activity (Go SEA)

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