UCSF

ZINC61189861

Substance Information

In ZINC since Heavy atoms Benign functionality
April 6th, 2011 21 Yes

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) 2.89 6.79 -38.2 2 4 1 43 296.431 10
Hi High (pH 8-9.5) 2.89 4.96 -5.11 1 4 0 42 295.423 10

Activity (Go SEA)

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