UCSF

ZINC28903422

Substance Information

In ZINC since Heavy atoms Benign functionality
March 8th, 2009 24 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) 4.88 11.67 -11.54 0 4 0 32 354.504 5
Lo Low (pH 4.5-6) 4.88 12.02 -33.58 1 4 1 34 355.512 5

Activity (Go SEA)

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