UCSF

ZINC41194388

Substance Information

In ZINC since Heavy atoms Benign functionality
April 17th, 2010 20 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) 2.09 2.57 -8.75 1 5 0 66 296.754 3
Hi High (pH 8-9.5) 2.09 3.49 -44.26 0 5 -1 69 295.746 3

Activity (Go SEA)

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