UCSF

ZINC39304087

Substance Information

In ZINC since Heavy atoms Benign functionality
February 12th, 2010 13 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) 2.37 4.88 -6.62 0 2 0 22 173.215 1
Lo Low (pH 4.5-6) 2.37 5.27 -24.76 1 2 1 23 174.223 1

Activity (Go SEA)

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