UCSF

ZINC47452653

Substance Information

In ZINC since Heavy atoms Benign functionality
August 31st, 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) 3.10 6.84 -46.63 3 4 1 54 271.34 4
Hi High (pH 8-9.5) 3.10 7.84 -79.99 2 4 0 57 270.332 4

Activity (Go SEA)

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