UCSF

ZINC07911027

Substance Information

In ZINC since Heavy atoms Benign functionality
June 25th, 2006 22 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) 4.06 9.69 -44.36 2 3 1 34 321.803 5
Hi High (pH 8-9.5) 4.06 7.45 -9.83 1 3 0 32 320.795 5

Activity (Go SEA)

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