UCSF

ZINC26514670

Substance Information

In ZINC since Heavy atoms Benign functionality
February 7th, 2009 15 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) 3.56 4.41 -8.08 1 2 0 33 219.309 2
Hi High (pH 8-9.5) 3.56 5.21 -45.05 0 2 -1 36 218.301 2

Activity (Go SEA)

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