UCSF

ZINC38973032

Substance Information

In ZINC since Heavy atoms Benign functionality
February 2nd, 2010 11 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) -0.67 -1.25 -10.38 2 4 0 71 156.137 1
Hi High (pH 8-9.5) -0.67 -0.45 -54.94 1 4 -1 73 155.129 1

Activity (Go SEA)

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