UCSF

ZINC00406783

Substance Information

In ZINC since Heavy atoms Benign functionality
July 24th, 2004 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) 4.22 11.32 -9.55 1 4 0 43 345.233 2
Mid Mid (pH 6-8) 4.39 12.35 -30.87 2 4 1 48 346.241 2
Lo Low (pH 4.5-6) 4.39 11.95 -44.77 2 4 1 47 346.241 2

Activity (Go SEA)

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