UCSF

ZINC26298589

Substance Information

In ZINC since Heavy atoms Benign functionality
February 5th, 2009 28 No

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) 2.50 7.71 -65.74 2 8 -1 102 433.564 8
Lo Low (pH 4.5-6) 1.77 7.87 -32.9 3 8 0 105 434.572 8

Activity (Go SEA)

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