UCSF

ZINC11568659

Substance Information

In ZINC since Heavy atoms Benign functionality
February 27th, 2008 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) 0.41 -3.84 -56.24 2 7 1 76 282.331 2
Lo Low (pH 4.5-6) 0.41 -3.41 -84.81 3 7 2 78 283.339 2

Activity (Go SEA)

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