UCSF

ZINC25066431

Substance Information

In ZINC since Heavy atoms Benign functionality
January 24th, 2009 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) 2.41 8.34 -46.42 2 5 1 62 301.414 4
Hi High (pH 8-9.5) 2.41 6.55 -20.48 1 5 0 61 300.406 4

Activity (Go SEA)

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