UCSF

ZINC25723904

Substance Information

In ZINC since Heavy atoms Benign functionality
February 1st, 2009 12 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) 2.06 3.58 -7.16 1 2 0 37 162.188 0
Hi High (pH 8-9.5) 2.06 4.09 -56.79 0 2 -1 40 161.18 0

Activity (Go SEA)

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