UCSF

ZINC16572729

Substance Information

In ZINC since Heavy atoms Benign functionality
August 31st, 2008 30 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) 5.28 8.71 -16.99 3 7 0 96 488.411 7
Hi High (pH 8-9.5) 5.47 7.83 -45.29 2 7 -1 102 487.403 7

Activity (Go SEA)

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