UCSF

ZINC05286322

Substance Information

In ZINC since Heavy atoms Benign functionality
January 28th, 2006 19 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) 2.62 6.52 -8.09 2 3 0 49 250.301 3
Lo Low (pH 4.5-6) 2.62 6.02 -28.76 3 3 1 50 251.309 3

Activity (Go SEA)

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