UCSF

ZINC39912482

Substance Information

In ZINC since Heavy atoms Benign functionality
March 15th, 2010 37 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) 5.13 10.44 -17.03 2 7 0 88 501.558 7
Hi High (pH 8-9.5) 4.90 11.36 -60.25 0 7 -1 87 500.55 7
Hi High (pH 8-9.5) 4.90 10.85 -50.42 0 7 -1 87 500.55 7
Hi High (pH 8-9.5) 5.13 11.32 -41.42 1 7 -1 91 500.55 7

Activity (Go SEA)

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