UCSF

ZINC06675707

Substance Information

In ZINC since Heavy atoms Benign functionality
April 14th, 2006 21 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) 1.80 7.38 -8.63 0 5 0 59 284.363 6
Lo Low (pH 4.5-6) 1.80 7.89 -32.08 1 5 1 60 285.371 6

Activity (Go SEA)

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