UCSF

ZINC37133143

Substance Information

In ZINC since Heavy atoms Benign functionality
November 21st, 2009 20 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) -2.39 -3.55 -20.27 4 9 0 133 282.256 2
Hi High (pH 8-9.5) -1.94 -5.62 -53.44 3 9 -1 137 281.248 2

Activity (Go SEA)

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