UCSF

ZINC06887384

Substance Information

In ZINC since Heavy atoms Benign functionality
April 30th, 2006 28 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) 1.78 -2 -20.8 1 8 0 107 401.444 4
Hi High (pH 8-9.5) 1.78 -1.43 -39.57 0 8 -1 109 400.436 4

Activity (Go SEA)

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