UCSF

ZINC05343437

Substance Information

In ZINC since Heavy atoms Benign functionality
January 30th, 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) 3.86 5.64 -14.61 3 6 0 89 411.889 5
Ref Reference (pH 7) 3.86 5.72 -14.77 3 6 0 89 411.889 5
Hi High (pH 8-9.5) 3.63 6.49 -43.65 1 6 -1 88 410.881 5
Hi High (pH 8-9.5) 3.63 6.01 -54.7 1 6 -1 88 410.881 5
Hi High (pH 8-9.5) 3.86 6.55 -38.43 2 6 -1 92 410.881 5

Activity (Go SEA)

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