UCSF

ZINC35734733

Substance Information

In ZINC since Heavy atoms Benign functionality
October 11th, 2009 15 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) -0.09 3.1 -46.3 1 5 -1 78 214.241 5
Lo Low (pH 4.5-6) -0.09 1.12 -7.93 2 5 0 76 215.249 5

Activity (Go SEA)

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