UCSF

ZINC06894409

Substance Information

In ZINC since Heavy atoms Benign functionality
May 1st, 2006 29 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) 2.52 7.03 -53.02 3 8 0 109 400.431 9
Hi High (pH 8-9.5) 2.52 5.67 -52.71 2 8 -1 105 399.423 9

Activity (Go SEA)

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