UCSF

ZINC20349183

Substance Information

In ZINC since Heavy atoms Benign functionality
November 20th, 2008 21 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) 0.85 3.68 -56.13 3 6 1 73 292.359 6
Hi High (pH 8-9.5) 0.85 2.27 -13.52 2 6 0 69 291.351 6
Hi High (pH 8-9.5) 0.85 4.57 -80.33 2 6 0 76 291.351 6

Activity (Go SEA)

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