UCSF

ZINC06556138

Substance Information

In ZINC since Heavy atoms Benign functionality
April 7th, 2006 21 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) 2.76 3.27 -13.56 2 5 0 80 284.267 2
Hi High (pH 8-9.5) 3.02 3.63 -48.22 1 5 -1 83 283.259 2

Activity (Go SEA)

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