UCSF

ZINC52246151

Substance Information

In ZINC since Heavy atoms Benign functionality
November 7th, 2010 16 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) 2.25 7.84 -37.66 1 3 1 25 227.372 5
Hi High (pH 8-9.5) 2.25 5.57 -7.08 0 3 0 24 226.364 5

Activity (Go SEA)

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