UCSF

ZINC42145777

Substance Information

In ZINC since Heavy atoms Benign functionality
April 25th, 2010 18 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) 1.29 5.91 -34.47 3 4 1 61 249.334 6
Hi High (pH 8-9.5) 1.29 3.71 -11.78 2 4 0 59 248.326 6

Activity (Go SEA)

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