UCSF

ZINC15723068

Substance Information

In ZINC since Heavy atoms Benign functionality
July 30th, 2008 24 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) 5.48 9.51 -38.05 3 2 1 37 324.488 4
Hi High (pH 8-9.5) 5.48 8.48 -3.16 2 2 0 32 323.48 4

Activity (Go SEA)

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