UCSF

ZINC42446565

Substance Information

In ZINC since Heavy atoms Benign functionality
April 29th, 2010 16 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) 1.69 4.91 -35.4 4 4 1 68 225.291 5
Lo Low (pH 4.5-6) 1.69 4.64 -86.81 5 4 2 69 226.299 5

Activity (Go SEA)

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