UCSF

ZINC39296683

Substance Information

In ZINC since Heavy atoms Benign functionality
February 12th, 2010 19 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) 2.07 6.47 -8.44 0 3 0 33 270.357 1
Lo Low (pH 4.5-6) 2.07 7.35 -27.95 1 3 1 34 271.365 1

Activity (Go SEA)

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