UCSF

ZINC66079349

Substance Information

In ZINC since Heavy atoms Benign functionality
August 19th, 2011 22 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) 4.01 4.58 -7.91 3 5 0 77 295.342 3
Hi High (pH 8-9.5) 4.01 5.34 -40.75 2 5 -1 80 294.334 3

Activity (Go SEA)

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