UCSF

ZINC55131857

Substance Information

In ZINC since Heavy atoms Benign functionality
December 11th, 2010 21 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) 0.40 5.74 -9.94 1 6 0 75 288.351 5
Lo Low (pH 4.5-6) 0.40 6.2 -41.62 2 6 1 76 289.359 5

Activity (Go SEA)

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