UCSF

ZINC05214527

Substance Information

In ZINC since Heavy atoms Benign functionality
January 25th, 2006 18 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) 1.80 4.53 -50.92 1 5 -1 86 270.33 8
Lo Low (pH 4.5-6) 1.80 2.55 -13.99 2 5 0 83 271.338 8

Activity (Go SEA)

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