UCSF

ZINC20614884

Substance Information

In ZINC since Heavy atoms Benign functionality
November 26th, 2008 26 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) 0.89 5.96 -65.89 0 8 -1 91 357.39 5
Mid Mid (pH 6-8) 0.89 8.24 -85.43 1 8 0 92 358.398 5

Activity (Go SEA)

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