UCSF

ZINC26991326

Substance Information

In ZINC since Heavy atoms Benign functionality
February 12th, 2009 28 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) 7.40 16.69 -107.81 2 2 2 9 388.684 4
Hi High (pH 8-9.5) 7.40 16.48 -28.36 1 2 1 8 387.676 4

Activity (Go SEA)

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