UCSF

ZINC61190781

Substance Information

In ZINC since Heavy atoms Benign functionality
April 6th, 2011 19 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) 0.92 5.26 -38.84 1 5 1 43 273.397 8
Hi High (pH 8-9.5) 0.92 3.82 -7.22 0 5 0 42 272.389 8

Activity (Go SEA)

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