UCSF

ZINC40132758

Substance Information

In ZINC since Heavy atoms Benign functionality
March 24th, 2010 28 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) 3.61 12.55 -9.07 0 5 0 40 398.938 3
Lo Low (pH 4.5-6) 3.61 13.01 -38 1 5 1 41 399.946 3

Activity (Go SEA)

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