UCSF

ZINC34621880

Substance Information

In ZINC since Heavy atoms Benign functionality
September 1st, 2009 11 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) 0.26 3.9 -3.22 2 1 0 26 165.623 1
Lo Low (pH 4.5-6) 0.26 4.26 -45.79 3 1 1 28 166.631 1

Activity (Go SEA)

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