UCSF

ZINC40285586

Substance Information

In ZINC since Heavy atoms Benign functionality
April 4th, 2010 16 No

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) 3.47 5.79 -7.39 1 3 0 46 284.153 3
Mid Mid (pH 6-8) 3.93 3.17 -44.51 0 3 -1 49 283.145 3

Activity (Go SEA)

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