UCSF

ZINC39779869

Substance Information

In ZINC since Heavy atoms Benign functionality
March 7th, 2010 16 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) 1.98 3.44 -30.97 2 3 1 29 227.372 2
Hi High (pH 8-9.5) 1.98 4.8 -29.62 2 3 1 26 227.372 2

Activity (Go SEA)

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