UCSF

ZINC34622863

Substance Information

In ZINC since Heavy atoms Benign functionality
September 1st, 2009 8 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) -0.32 -0.7 -35.72 4 2 1 48 116.184 0
Hi High (pH 8-9.5) -0.32 -1.01 -2.82 3 2 0 46 115.176 0

Activity (Go SEA)

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