UCSF

ZINC43973548

Substance Information

In ZINC since Heavy atoms Benign functionality
May 21st, 2010 25 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) 3.84 10.87 -46.99 2 4 1 38 381.327 5
Hi High (pH 8-9.5) 3.84 8.63 -9.05 1 4 0 37 380.319 5

Activity (Go SEA)

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