UCSF

ZINC38828277

Substance Information

In ZINC since Heavy atoms Benign functionality
January 30th, 2010 21 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) 2.71 7.41 -9.76 1 5 0 65 305.355 6
Hi High (pH 8-9.5) 2.89 5.73 -44.21 0 5 -1 71 304.347 6

Activity (Go SEA)

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