UCSF

ZINC71606702

Substance Information

In ZINC since Heavy atoms Benign functionality
December 12th, 2011 12 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) 3.09 5.29 -2.7 1 1 0 12 161.248 0
Lo Low (pH 4.5-6) 3.09 5.84 -31.43 2 1 1 17 162.256 0

Activity (Go SEA)

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