UCSF

ZINC22164268

Substance Information

In ZINC since Heavy atoms Benign functionality
December 13th, 2008 16 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) 0.56 2.26 -44.22 3 4 1 53 225.312 3
Lo Low (pH 4.5-6) 0.56 3.92 -120.37 4 4 2 54 226.32 3

Activity (Go SEA)

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