UCSF

ZINC33331904

Substance Information

In ZINC since Heavy atoms Benign functionality
May 29th, 2009 36 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) 3.62 11.71 -47.37 2 8 1 75 498.692 8
Hi High (pH 8-9.5) 3.62 9.33 -12.22 1 8 0 74 497.684 8
Mid Mid (pH 6-8) 3.62 11.62 -50.57 2 8 1 75 498.692 8

Activity (Go SEA)

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