UCSF

ZINC39252863

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) 0.80 5.28 -47.88 0 2 -1 40 125.147 1
Lo Low (pH 4.5-6) 0.80 3.31 -5.07 1 2 0 37 126.155 1

Activity (Go SEA)

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