UCSF

ZINC05525957

Substance Information

In ZINC since Heavy atoms Benign functionality
February 4th, 2006 21 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) 3.21 6.5 -9.22 1 3 0 37 301.752 2
Lo Low (pH 4.5-6) 3.21 7.46 -36.67 2 3 1 38 302.76 2

Activity (Go SEA)

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