UCSF

ZINC34614723

Substance Information

In ZINC since Heavy atoms Benign functionality
September 1st, 2009 14 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) 3.58 8.01 -30.9 1 2 1 14 202.362 10
Hi High (pH 8-9.5) 3.58 5.48 -1.86 0 2 0 12 201.354 10

Activity (Go SEA)

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