UCSF

ZINC66580147

Substance Information

In ZINC since Heavy atoms Benign functionality
August 27th, 2011 18 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) 2.48 4.58 -111.71 0 5 -2 88 273.285 5
Lo Low (pH 4.5-6) 2.48 4.52 -43.91 1 5 -1 86 274.293 5

Activity (Go SEA)

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