UCSF

ZINC42175548

Substance Information

In ZINC since Heavy atoms Benign functionality
April 25th, 2010 13 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) 0.75 2.37 -6.94 1 3 0 42 196.275 1
Hi High (pH 8-9.5) 1.47 1.78 -40.89 0 3 -1 39 195.267 1

Activity (Go SEA)

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