UCSF

ZINC57832763

Substance Information

In ZINC since Heavy atoms Benign functionality
January 26th, 2011 18 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

None

Vendors

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) 3.23 7.9 -37.27 2 3 1 34 249.378 7
Hi High (pH 8-9.5) 3.23 5.65 -6.72 1 3 0 32 248.37 7

Activity (Go SEA)

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