UCSF

ZINC04923808

Substance Information

In ZINC since Heavy atoms Benign functionality
January 11th, 2006 23 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) 4.43 8.85 -9.61 1 3 0 42 348.899 4
Lo Low (pH 4.5-6) 4.43 9.09 -35.58 2 3 1 43 349.907 4

Activity (Go SEA)

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