UCSF

ZINC04915353

Substance Information

In ZINC since Heavy atoms Benign functionality
January 11th, 2006 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) 3.55 7.97 -36.44 1 2 1 14 228.743 5
Hi High (pH 8-9.5) 3.55 5.44 -3.42 0 2 0 12 227.735 5

Activity (Go SEA)

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