UCSF

ZINC42442749

Substance Information

In ZINC since Heavy atoms Benign functionality
April 29th, 2010 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) -0.20 0.72 -50.16 3 5 1 60 258.386 6
Hi High (pH 8-9.5) -0.20 2.31 -35.13 3 5 1 60 258.386 6

Activity (Go SEA)

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