UCSF

ZINC26511811

Substance Information

In ZINC since Heavy atoms Benign functionality
February 7th, 2009 19 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) 3.39 8.23 -10.14 2 3 0 44 249.317 2
Mid Mid (pH 6-8) 3.39 8.35 -28.89 3 3 1 45 250.325 2

Activity (Go SEA)

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