UCSF

ZINC41667153

Substance Information

In ZINC since Heavy atoms Benign functionality
April 21st, 2010 29 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) 1.96 6.29 -16.38 0 8 0 87 405.447 10
Lo Low (pH 4.5-6) 1.96 9.17 -48.24 1 8 1 89 406.455 10

Activity (Go SEA)

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