UCSF

ZINC26507967

Substance Information

In ZINC since Heavy atoms Benign functionality
February 7th, 2009 16 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) 0.56 6.25 -64.74 0 4 -1 62 220.179 1
Mid Mid (pH 6-8) 0.56 5.16 -44.51 1 4 0 65 221.187 1

Activity (Go SEA)

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