UCSF

ZINC44430348

Substance Information

In ZINC since Heavy atoms Benign functionality
May 25th, 2010 38 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) 8.31 20.26 -187.36 1 8 -3 149 538.746 28
Lo Low (pH 4.5-6) 8.31 18.28 -111.67 2 8 -2 147 539.754 28

Activity (Go SEA)

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