UCSF

ZINC42267392

Substance Information

In ZINC since Heavy atoms Benign functionality
April 26th, 2010 18 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) 1.88 6.41 -38.51 1 5 1 49 262.37 13
Mid Mid (pH 6-8) 1.88 4.31 -8.77 0 5 0 48 261.362 13

Activity (Go SEA)

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