UCSF

ZINC34956336

Substance Information

In ZINC since Heavy atoms Benign functionality
October 1st, 2009 18 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) 2.69 4.46 -8.87 1 3 0 46 254.314 2
Lo Low (pH 4.5-6) 2.49 6.22 -90.39 2 3 1 47 255.322 1

Activity (Go SEA)

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