UCSF

ZINC26898062

Substance Information

In ZINC since Heavy atoms Benign functionality
February 11th, 2009 10 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) 0.21 2.24 -93.88 5 3 2 56 143.234 1
Mid Mid (pH 6-8) -2.98 2.31 -28.51 5 3 1 56 142.226 1

Activity (Go SEA)

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