UCSF

ZINC33827383

Substance Information

In ZINC since Heavy atoms Benign functionality
July 28th, 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) 0.05 6.17 -26.73 1 4 1 46 296.346 1
Hi High (pH 8-9.5) 3.64 7.79 -19.12 0 4 0 43 295.338 2

Activity (Go SEA)

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