UCSF

ZINC60087565

Substance Information

In ZINC since Heavy atoms Benign functionality
March 14th, 2011 17 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

Vendors

    None

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) -0.02 1.51 -40.48 3 5 1 65 250.359 12
Hi High (pH 8-9.5) -0.02 0.08 -8.84 2 5 0 60 249.351 12

Activity (Go SEA)

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