UCSF

ZINC42428972

Substance Information

In ZINC since Heavy atoms Benign functionality
April 28th, 2010 16 No

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) -0.40 1.5 -42.11 4 5 1 69 248.372 8
Hi High (pH 8-9.5) -0.40 -0.49 -13.1 3 5 0 68 247.364 8

Activity (Go SEA)

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