UCSF

ZINC43401333

Substance Information

In ZINC since Heavy atoms Benign functionality
May 13th, 2010 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) 0.22 3.97 -34.09 4 5 1 77 251.354 6
Mid Mid (pH 6-8) 0.22 5.55 -6.19 3 5 0 75 250.346 6
Lo Low (pH 4.5-6) 0.22 4.42 -88.09 5 5 2 78 252.362 6

Activity (Go SEA)

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