UCSF

ZINC23828291

Substance Information

In ZINC since Heavy atoms Benign functionality
January 8th, 2009 20 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) 3.45 7.74 -49.25 2 4 1 47 314.192 5
Hi High (pH 8-9.5) 3.27 6.89 -30.48 1 4 0 53 313.184 5
Hi High (pH 8-9.5) 3.45 5.48 -13.48 1 4 0 45 313.184 5

Activity (Go SEA)

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