UCSF

ZINC43430390

Substance Information

In ZINC since Heavy atoms Benign functionality
May 13th, 2010 20 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) 0.54 8.42 -54.9 2 4 0 57 276.38 6
Hi High (pH 8-9.5) 0.54 6.95 -33.21 2 4 0 60 276.38 6
Mid Mid (pH 6-8) 0.54 9.18 -83.55 3 4 1 61 277.388 6

Activity (Go SEA)

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