UCSF

ZINC34615272

Substance Information

In ZINC since Heavy atoms Benign functionality
September 1st, 2009 19 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) 4.38 6.92 -4.02 0 2 0 16 293.197 2
Lo Low (pH 4.5-6) 4.38 9.22 -40.7 1 2 1 17 294.205 2

Activity (Go SEA)

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