UCSF

ZINC22042673

Substance Information

In ZINC since Heavy atoms Benign functionality
December 12th, 2008 22 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) 1.99 7.02 -39.8 1 5 1 35 301.414 5
Hi High (pH 8-9.5) 1.99 4.67 -9.15 0 5 0 34 300.406 5

Activity (Go SEA)

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