UCSF

ZINC09314264

Substance Information

In ZINC since Heavy atoms Benign functionality
August 18th, 2007 22 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) 2.47 -1.01 -15.72 1 6 0 80 296.33 3
Lo Low (pH 4.5-6) 2.47 -1.33 -44.46 2 6 1 82 297.338 3

Activity (Go SEA)

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