UCSF

ZINC48672917

Substance Information

In ZINC since Heavy atoms Benign functionality
September 18th, 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) 1.99 4.43 -41.1 2 5 1 54 304.48 4
Hi High (pH 8-9.5) 1.99 4.31 -39.33 1 5 0 56 303.472 4

Activity (Go SEA)

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