UCSF

ZINC67653891

Substance Information

In ZINC since Heavy atoms Benign functionality
September 12th, 2011 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) 3.22 8.35 -30.39 1 3 1 31 230.372 7
Hi High (pH 8-9.5) 3.22 7.14 -3.36 0 3 0 30 229.364 7

Activity (Go SEA)

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