UCSF

ZINC55633291

Substance Information

In ZINC since Heavy atoms Benign functionality
December 17th, 2010 24 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

None

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) 3.48 5.88 -9.98 1 5 0 65 369.87 9
Mid Mid (pH 6-8) 3.48 5.89 -45.56 0 5 -1 67 368.862 9

Activity (Go SEA)

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