UCSF

ZINC45769123

Substance Information

In ZINC since Heavy atoms Benign functionality
August 4th, 2010 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) 2.84 6.96 -33.47 2 4 1 37 296.479 6
Hi High (pH 8-9.5) 2.84 4.79 -6.91 1 4 0 36 295.471 6

Activity (Go SEA)

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