UCSF

ZINC49568617

Substance Information

In ZINC since Heavy atoms Benign functionality
October 6th, 2010 14 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) -0.12 4.29 -198.05 5 3 3 37 198.334 1
Hi High (pH 8-9.5) -0.12 -0.63 -42.44 3 3 1 34 196.318 1
Mid Mid (pH 6-8) -0.12 1.94 -88.01 4 3 2 35 197.326 1

Activity (Go SEA)

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