UCSF

ZINC35553336

Substance Information

In ZINC since Heavy atoms Benign functionality
October 9th, 2009 32 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) 6.05 14.43 -40.78 1 5 1 37 458.74 10
Hi High (pH 8-9.5) 6.05 12.33 -5.44 0 5 0 35 457.732 10
Lo Low (pH 4.5-6) 6.05 16.65 -129.22 2 5 2 38 459.748 10

Activity (Go SEA)

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