UCSF

ZINC04837180

Substance Information

In ZINC since Heavy atoms Benign functionality
January 7th, 2006 20 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) 2.15 8.64 -46.23 2 5 1 69 266.328 2
Hi High (pH 8-9.5) 2.15 7.36 -6.45 1 5 0 65 265.32 2

Activity (Go SEA)

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