UCSF

ZINC42951289

Substance Information

In ZINC since Heavy atoms Benign functionality
May 6th, 2010 14 No

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) 2.64 6.32 -45.23 3 1 1 28 230.784 4
Hi High (pH 8-9.5) 2.64 5.87 -2.9 2 1 0 26 229.776 4

Activity (Go SEA)

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