UCSF

ZINC22033899

Substance Information

In ZINC since Heavy atoms Benign functionality
December 12th, 2008 30 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) 3.27 7.49 -48.92 2 7 1 77 411.478 6
Hi High (pH 8-9.5) 3.27 5.13 -15.36 1 7 0 75 410.47 6

Activity (Go SEA)

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