UCSF

ZINC39236050

Substance Information

In ZINC since Heavy atoms Benign functionality
February 10th, 2010 13 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) 1.62 6.14 -28.01 4 3 1 56 174.227 1
Hi High (pH 8-9.5) 1.62 5.74 -8.7 3 3 0 55 173.219 1

Activity (Go SEA)

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