UCSF

ZINC41227450

Substance Information

In ZINC since Heavy atoms Benign functionality
April 18th, 2010 13 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) 2.39 6.31 -45.86 2 1 1 17 214.741 1
Hi High (pH 8-9.5) 2.39 5.02 -3.01 1 1 0 12 213.733 1

Activity (Go SEA)

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