UCSF

ZINC36638215

Substance Information

In ZINC since Heavy atoms Benign functionality
November 10th, 2009 31 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) 6.37 15.85 -49.87 1 4 1 38 432.613 7
Hi High (pH 8-9.5) 6.37 13.43 -16.02 0 4 0 36 431.605 7

Activity (Go SEA)

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