UCSF

ZINC45091924

Substance Information

In ZINC since Heavy atoms Benign functionality
July 25th, 2010 17 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) 1.56 3.18 -7.55 4 4 0 72 235.331 4
Lo Low (pH 4.5-6) 1.56 2.46 -27.48 5 4 1 74 236.339 4

Activity (Go SEA)

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