UCSF

ZINC38207462

Substance Information

In ZINC since Heavy atoms Benign functionality
January 12th, 2010 22 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) 0.91 3.25 -40.45 5 6 1 88 300.386 2
Mid Mid (pH 6-8) 0.91 3.28 -44.5 5 6 1 88 300.386 2

Activity (Go SEA)

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