UCSF

ZINC39767197

Substance Information

In ZINC since Heavy atoms Benign functionality
March 7th, 2010 16 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) 2.54 7.58 -6.54 1 3 0 42 229.308 4
Hi High (pH 8-9.5) 2.54 7.38 -42.33 0 3 -1 40 228.3 4

Activity (Go SEA)

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