UCSF

ZINC26259847

Substance Information

In ZINC since Heavy atoms Benign functionality
February 5th, 2009 33 No

Download: MOL2 SDF SMILES Flexibase

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) 6.86 14.56 -53.94 0 3 -1 57 453.687 2
Lo Low (pH 4.5-6) 6.86 12.58 -7.88 1 3 0 54 454.695 2

Activity (Go SEA)

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