UCSF

ZINC43424679

Substance Information

In ZINC since Heavy atoms Benign functionality
May 13th, 2010 20 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) 0.74 2.75 -106.68 4 4 2 45 281.444 2
Lo Low (pH 4.5-6) 0.74 2.29 -124.46 4 4 2 45 281.444 2

Activity (Go SEA)

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