UCSF

ZINC52227844

Substance Information

In ZINC since Heavy atoms Benign functionality
November 7th, 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) 2.28 6.61 -13.23 0 2 0 41 193.633 3
Hi High (pH 8-9.5) 1.75 5.44 -38.48 0 2 -1 47 192.625 2

Activity (Go SEA)

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