UCSF

ZINC31887189

Substance Information

In ZINC since Heavy atoms Benign functionality
April 18th, 2009 22 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) 3.25 8.48 -41.11 2 4 1 44 294.378 5
Hi High (pH 8-9.5) 3.25 6.96 -7.76 1 4 0 39 293.37 5

Activity (Go SEA)

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