UCSF

ZINC35430302

Substance Information

In ZINC since Heavy atoms Benign functionality
October 7th, 2009 25 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) 0.86 4.04 -13.05 1 7 0 76 362.455 5
Mid Mid (pH 6-8) 0.86 6.31 -42.87 2 7 1 77 363.463 5
Lo Low (pH 4.5-6) 0.86 6.8 -82.85 3 7 2 78 364.471 5

Activity (Go SEA)

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