UCSF

ZINC42607034

Substance Information

In ZINC since Heavy atoms Benign functionality
April 30th, 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) -0.22 -1.35 -40.2 3 5 1 59 235.348 10
Hi High (pH 8-9.5) -0.22 -2.79 -4.04 2 5 0 54 234.34 10

Activity (Go SEA)

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