UCSF

ZINC37050532

Substance Information

In ZINC since Heavy atoms Benign functionality
November 20th, 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) 2.36 7.37 -52.4 3 4 1 55 268.34 5
Lo Low (pH 4.5-6) 2.36 7.85 -88.03 4 4 2 56 269.348 5

Activity (Go SEA)

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