UCSF

ZINC06688469

Substance Information

In ZINC since Heavy atoms Benign functionality
April 15th, 2006 22 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) 2.66 7.86 -7.96 0 5 0 59 316.43 5
Lo Low (pH 4.5-6) 2.66 8.32 -39.08 1 5 1 60 317.438 5

Activity (Go SEA)

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