UCSF

ZINC40557618

Substance Information

In ZINC since Heavy atoms Benign functionality
April 9th, 2010 18 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) -0.29 6.13 -73.39 2 6 0 77 257.334 4
Mid Mid (pH 6-8) -0.29 3.96 -53.62 1 6 -1 76 256.326 4

Activity (Go SEA)

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