UCSF

ZINC05820790

Substance Information

In ZINC since Heavy atoms Benign functionality
February 15th, 2006 25 Yes

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) 2.87 7.57 -54.67 2 5 -1 98 351.463 12
Lo Low (pH 4.5-6) 2.87 5.6 -13.17 3 5 0 95 352.471 12

Activity (Go SEA)

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