UCSF

ZINC34660626

Substance Information

In ZINC since Heavy atoms Benign functionality
September 18th, 2009 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) 2.63 8.03 -37.45 2 4 1 46 299.822 7
Hi High (pH 8-9.5) 2.63 6.59 -10.41 1 4 0 42 298.814 7

Activity (Go SEA)

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