UCSF

ZINC40863962

Substance Information

In ZINC since Heavy atoms Benign functionality
April 13th, 2010 15 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) 0.37 3.82 -89.16 3 4 2 42 209.293 2
Hi High (pH 8-9.5) 0.37 1.14 -6.94 1 4 0 40 207.277 2
Mid Mid (pH 6-8) 0.37 1.46 -28.15 2 4 1 41 208.285 2
Mid Mid (pH 6-8) 0.37 3.51 -39.7 2 4 1 41 208.285 2

Activity (Go SEA)

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