UCSF

ZINC59587139

Substance Information

In ZINC since Heavy atoms Benign functionality
March 7th, 2011 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) 2.96 9.06 -42.3 2 4 1 35 341.475 7
Lo Low (pH 4.5-6) 2.96 8.02 -47.77 2 4 1 38 341.475 7

Activity (Go SEA)

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