UCSF

ZINC05316279

Substance Information

In ZINC since Heavy atoms Benign functionality
January 29th, 2006 24 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) 5.94 12.77 -38.64 1 2 1 17 363.978 6
Hi High (pH 8-9.5) 5.94 10.61 -4.19 0 2 0 16 362.97 6

Activity (Go SEA)

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