UCSF

ZINC26252147

Substance Information

In ZINC since Heavy atoms Benign functionality
February 5th, 2009 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) -2.04 -5.87 -40.24 5 5 1 85 190.219 0
Hi High (pH 8-9.5) -2.04 -5.12 -53.23 4 5 0 88 189.211 0

Activity (Go SEA)

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