UCSF

ZINC25134718

Substance Information

In ZINC since Heavy atoms Benign functionality
January 25th, 2009 22 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) 0.79 2.83 -20.85 2 6 0 80 297.314 4
Lo Low (pH 4.5-6) 0.79 3.2 -49.24 3 6 1 82 298.322 4

Activity (Go SEA)

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