UCSF

ZINC32905142

Substance Information

In ZINC since Heavy atoms Benign functionality
May 12th, 2009 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) 4.08 8.71 -6.32 1 3 0 38 261.756 2
Lo Low (pH 4.5-6) 4.08 9.15 -31.92 2 3 1 39 262.764 2

Activity (Go SEA)

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