UCSF

ZINC41720271

Substance Information

In ZINC since Heavy atoms Benign functionality
April 22nd, 2010 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) 3.44 7.36 -27.83 2 3 1 35 265.336 4
Hi High (pH 8-9.5) 3.44 6.92 -7.87 1 3 0 34 264.328 4

Activity (Go SEA)

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