UCSF

ZINC22000946

Substance Information

In ZINC since Heavy atoms Benign functionality
December 11th, 2008 14 No

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) 1.62 7.39 -16.35 0 3 0 35 186.214 3
Lo Low (pH 4.5-6) 1.62 7.84 -39.47 1 3 1 36 187.222 3

Activity (Go SEA)

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