UCSF

ZINC35716806

Substance Information

In ZINC since Heavy atoms Benign functionality
October 11th, 2009 20 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) 2.20 9.05 -50.2 0 4 -1 60 290.364 4
Lo Low (pH 4.5-6) 2.20 7.21 -13.79 1 4 0 58 291.372 4

Activity (Go SEA)

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