UCSF

ZINC39292035

Substance Information

In ZINC since Heavy atoms Benign functionality
February 12th, 2010 13 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) 3.26 4.87 -5.91 1 1 0 20 190.267 1
Hi High (pH 8-9.5) 3.26 5.63 -44.63 0 1 -1 23 189.259 1

Activity (Go SEA)

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