UCSF

ZINC57305382

Substance Information

In ZINC since Heavy atoms Benign functionality
January 19th, 2011 19 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) 2.39 6.44 -44.53 2 4 1 46 278.401 5
Hi High (pH 8-9.5) 2.21 5.6 -34.41 1 4 0 53 277.393 5

Activity (Go SEA)

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