UCSF

ZINC31934652

Substance Information

In ZINC since Heavy atoms Benign functionality
April 18th, 2009 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) 1.79 3.77 -54.01 4 5 1 83 308.427 4
Hi High (pH 8-9.5) 2.25 2.72 -45.37 3 5 0 86 307.419 4
Hi High (pH 8-9.5) 1.79 2.35 -13.37 3 5 0 78 307.419 4

Activity (Go SEA)

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