UCSF

ZINC05331570

Substance Information

In ZINC since Heavy atoms Benign functionality
January 29th, 2006 14 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) 3.23 5.99 -10.58 0 3 0 38 183.214 2
Lo Low (pH 4.5-6) 3.23 6.36 -29.16 1 3 1 39 184.222 2

Activity (Go SEA)

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