UCSF

ZINC39367467

Substance Information

In ZINC since Heavy atoms Benign functionality
February 16th, 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) 1.53 4.71 -3.65 0 1 0 13 119.167 2
Lo Low (pH 4.5-6) 1.53 5.17 -30.64 1 1 1 14 120.175 2

Activity (Go SEA)

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