UCSF

ZINC48792367

Substance Information

In ZINC since Heavy atoms Benign functionality
September 19th, 2010 20 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) -0.87 4.95 -15.48 2 8 0 101 293.356 5
Hi High (pH 8-9.5) -0.87 4.75 -46.05 1 8 -1 100 292.348 5

Activity (Go SEA)

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