UCSF

ZINC42592552

Substance Information

In ZINC since Heavy atoms Benign functionality
April 30th, 2010 14 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) 1.39 3.24 -40.6 4 3 1 57 201.334 5
Hi High (pH 8-9.5) 1.39 2.57 -6.26 3 3 0 55 200.326 5

Activity (Go SEA)

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