UCSF

ZINC34743528

Substance Information

In ZINC since Heavy atoms Benign functionality
September 24th, 2009 29 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) 2.52 15.48 -20.43 0 2 1 6 379.527 3
Lo Low (pH 4.5-6) 2.52 16.18 -44.86 1 2 0 7 380.535 3

Activity (Go SEA)

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