UCSF

ZINC04892899

Substance Information

In ZINC since Heavy atoms Benign functionality
January 10th, 2006 27 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) 1.24 8.96 -52.13 2 8 1 87 372.449 6
Hi High (pH 8-9.5) 1.24 6.68 -14.45 1 8 0 85 371.441 6

Activity (Go SEA)

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