UCSF

ZINC28903393

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) 5.24 9.18 -13.33 2 4 0 50 354.504 5
Lo Low (pH 4.5-6) 5.24 9.55 -38.39 3 4 1 51 355.512 5

Activity (Go SEA)

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