UCSF

ZINC29228572

Substance Information

In ZINC since Heavy atoms Benign functionality
March 11th, 2009 19 No

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) -3.78 3.15 -34.06 1 5 1 42 270.397 7
Mid Mid (pH 6-8) -3.78 5.68 -105.43 2 5 2 43 271.405 7

Activity (Go SEA)

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