UCSF

ZINC05392898

Substance Information

In ZINC since Heavy atoms Benign functionality
January 31st, 2006 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) -1.17 -3.17 -12.23 4 8 0 119 237.219 1
Lo Low (pH 4.5-6) -1.17 -2.91 -32.7 5 8 1 121 238.227 1
Lo Low (pH 4.5-6) -1.17 -7.29 -33.29 5 8 1 121 238.227 1

Activity (Go SEA)

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