UCSF

ZINC35500637

Substance Information

In ZINC since Heavy atoms Benign functionality
October 8th, 2009 20 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) 4.09 6.31 -54.41 3 4 1 63 277.388 7
Hi High (pH 8-9.5) 4.54 3.69 -76.97 2 4 0 66 276.38 7

Activity (Go SEA)

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