UCSF

ZINC25484188

Substance Information

In ZINC since Heavy atoms Benign functionality
January 29th, 2009 20 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

None

Vendors

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) 3.46 5.79 -38.05 2 4 1 43 278.372 3
Hi High (pH 8-9.5) 3.46 6.55 -30.89 1 4 0 46 277.364 3

Activity (Go SEA)

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