UCSF

ZINC04822737

Substance Information

In ZINC since Heavy atoms Benign functionality
January 6th, 2006 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) 4.17 10.08 -86.92 3 4 0 85 313.482 17
Lo Low (pH 4.5-6) 4.17 8.96 -53.55 4 4 1 82 314.49 17

Activity (Go SEA)

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