UCSF

ZINC42470693

Substance Information

In ZINC since Heavy atoms Benign functionality
April 29th, 2010 14 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) 0.20 3.7 -38.34 2 4 1 46 201.29 5
Hi High (pH 8-9.5) 0.20 2.24 -9.77 1 4 0 42 200.282 5

Activity (Go SEA)

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