UCSF

ZINC42410880

Substance Information

In ZINC since Heavy atoms Benign functionality
April 28th, 2010 11 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) 0.71 0.09 -36.09 5 3 1 72 171.607 1
Hi High (pH 8-9.5) 0.71 1.09 -39.31 4 3 0 75 170.599 1

Activity (Go SEA)

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