UCSF

ZINC05117292

Substance Information

In ZINC since Heavy atoms Benign functionality
January 21st, 2006 16 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) 3.46 6.9 -12.79 1 3 0 42 274.121 1
Lo Low (pH 4.5-6) 3.46 7.18 -38.82 2 3 1 43 275.129 1

Activity (Go SEA)

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