UCSF

ZINC41662181

Substance Information

In ZINC since Heavy atoms Benign functionality
April 21st, 2010 34 No

Download: MOL2 SDF SMILES Flexibase

Annotations

None

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) 3.32 7.74 -11.89 0 7 0 60 459.546 5
Mid Mid (pH 6-8) 3.32 10.01 -54.32 1 7 1 61 460.554 5

Activity (Go SEA)

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