UCSF

ZINC42451656

Substance Information

In ZINC since Heavy atoms Benign functionality
April 29th, 2010 15 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) 3.07 5.58 -3.16 0 2 0 12 233.783 6
Mid Mid (pH 6-8) 3.07 7.74 -35.49 1 2 1 14 234.791 6

Activity (Go SEA)

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