UCSF

ZINC33827393

Substance Information

In ZINC since Heavy atoms Benign functionality
July 28th, 2009 23 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) 0.78 7.52 -26.77 1 4 1 46 312.389 4
Hi High (pH 8-9.5) 4.36 9.43 -18.82 0 4 0 43 311.381 5

Activity (Go SEA)

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