UCSF

ZINC22042539

Substance Information

In ZINC since Heavy atoms Benign functionality
December 12th, 2008 26 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) 2.57 8.02 -49.75 1 4 1 42 389.566 2
Hi High (pH 8-9.5) 2.57 5.66 -11.52 0 4 0 41 388.558 2

Activity (Go SEA)

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