UCSF

ZINC42452824

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) -0.28 2.04 -86.65 6 5 2 89 224.308 6
Hi High (pH 8-9.5) -0.28 2.06 -30.86 5 5 1 87 223.3 6
Hi High (pH 8-9.5) -0.28 1.86 -35.92 5 5 1 88 223.3 6

Activity (Go SEA)

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