UCSF

ZINC39264068

Substance Information

In ZINC since Heavy atoms Benign functionality
February 11th, 2010 9 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) 0.92 2.6 -27.17 2 2 1 16 129.227 1
Hi High (pH 8-9.5) 0.92 0.36 -1.83 1 2 0 15 128.219 1
Hi High (pH 8-9.5) 0.92 1.5 -34.37 2 2 1 20 129.227 1

Activity (Go SEA)

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