UCSF

ZINC44609626

Substance Information

In ZINC since Heavy atoms Benign functionality
July 17th, 2010 14 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) 1.77 7.31 -37.1 1 2 1 17 233.788 6
Hi High (pH 8-9.5) 1.77 4.93 -5.04 0 2 0 16 232.78 6

Activity (Go SEA)

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