UCSF

ZINC36981439

Substance Information

In ZINC since Heavy atoms Benign functionality
November 18th, 2009 17 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) -0.94 -2.15 -94.94 2 8 -2 138 239.187 4
Hi High (pH 8-9.5) -0.94 -3.15 -97.77 2 8 -2 138 239.187 4
Mid Mid (pH 6-8) -1.40 -0.39 -44.6 3 8 -1 135 240.195 4

Activity (Go SEA)

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