UCSF

ZINC24887360

Substance Information

In ZINC since Heavy atoms Benign functionality
January 22nd, 2009 21 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) 2.92 8.52 -41.37 2 3 1 29 288.459 5
Mid Mid (pH 6-8) 2.92 9.8 -118.06 3 3 2 34 289.467 5

Activity (Go SEA)

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