UCSF

ZINC39956615

Substance Information

In ZINC since Heavy atoms Benign functionality
March 19th, 2010 18 No

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) 1.92 6.22 -6.75 1 6 0 84 309.123 4
Lo Low (pH 4.5-6) 1.92 6.69 -37.3 2 6 1 85 310.131 4

Activity (Go SEA)

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