UCSF

ZINC42277021

Substance Information

In ZINC since Heavy atoms Benign functionality
April 26th, 2010 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) 0.41 3.43 -38.91 2 4 1 46 213.301 4
Hi High (pH 8-9.5) 0.41 2.08 -8.43 1 4 0 42 212.293 4

Activity (Go SEA)

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