UCSF

ZINC19231670

Substance Information

In ZINC since Heavy atoms Benign functionality
October 28th, 2008 17 No

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) 0.92 5.59 -9.8 1 6 0 84 230.227 4
Lo Low (pH 4.5-6) 0.92 6.02 -40.64 2 6 1 85 231.235 4

Activity (Go SEA)

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