UCSF

ZINC05179557

Substance Information

In ZINC since Heavy atoms Benign functionality
January 24th, 2006 23 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) 3.33 6.85 -15.27 1 5 0 72 303.321 2
Lo Low (pH 4.5-6) 3.77 7.75 -95.72 3 5 2 74 305.337 1

Activity (Go SEA)

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