UCSF

ZINC41721380

Substance Information

In ZINC since Heavy atoms Benign functionality
April 22nd, 2010 17 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) 2.52 5.23 -86.32 4 3 2 43 229.327 2
Hi High (pH 8-9.5) 2.52 4.8 -49.51 3 3 1 42 228.319 2

Activity (Go SEA)

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