UCSF

ZINC34992082

Substance Information

In ZINC since Heavy atoms Benign functionality
October 2nd, 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) 1.30 4.48 -44.93 3 4 1 55 249.334 8
Hi High (pH 8-9.5) 1.30 3.09 -10.57 2 4 0 50 248.326 8

Activity (Go SEA)

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