UCSF

ZINC31966082

Substance Information

In ZINC since Heavy atoms Benign functionality
April 19th, 2009 20 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) -0.57 1.97 -59.23 5 6 1 95 272.332 6
Lo Low (pH 4.5-6) -0.57 2.41 -98.59 6 6 2 96 273.34 6

Activity (Go SEA)

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