UCSF

ZINC04972562

Substance Information

In ZINC since Heavy atoms Benign functionality
January 13th, 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) 1.72 5.77 -49.77 2 4 1 43 300.378 1
Hi High (pH 8-9.5) 1.72 3.57 -6.99 1 4 0 42 299.37 1

Activity (Go SEA)

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