UCSF

ZINC26473792

Substance Information

In ZINC since Heavy atoms Benign functionality
February 7th, 2009 23 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) 0.27 2.22 -45.03 5 7 1 109 325.433 6
Hi High (pH 8-9.5) 0.27 0.92 -16.09 4 7 0 105 324.425 6

Activity (Go SEA)

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