UCSF

ZINC04906344

Substance Information

In ZINC since Heavy atoms Benign functionality
January 11th, 2006 24 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) 2.47 1.53 -20.36 3 7 0 108 347.396 6
Hi High (pH 8-9.5) 2.47 2.29 -63.52 2 7 -1 111 346.388 6

Activity (Go SEA)

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