UCSF

ZINC31966219

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) 1.71 6.47 -56.4 1 6 -1 85 278.332 8
Lo Low (pH 4.5-6) 1.71 5.35 -16.87 2 6 0 83 279.34 8

Activity (Go SEA)

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