UCSF

ZINC05159818

Substance Information

In ZINC since Heavy atoms Benign functionality
January 23rd, 2006 12 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) 2.55 2.64 -7.12 1 2 0 33 159.188 0
Lo Low (pH 4.5-6) 2.55 2.92 -28.7 2 2 1 34 160.196 0

Activity (Go SEA)

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