UCSF

ZINC39389025

Substance Information

In ZINC since Heavy atoms Benign functionality
February 17th, 2010 30 No

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) 6.30 9.92 -7.45 2 4 0 58 458.933 5
Mid Mid (pH 6-8) 6.49 8.39 -38.4 1 4 -1 65 457.925 5

Activity (Go SEA)

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