UCSF

ZINC05343998

Substance Information

In ZINC since Heavy atoms Benign functionality
January 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) 3.59 5.45 -13.27 3 6 0 89 397.862 4
Ref Reference (pH 7) 3.59 5.41 -11.14 3 6 0 89 397.862 4
Hi High (pH 8-9.5) 3.59 6.22 -43.77 2 6 -1 92 396.854 4
Hi High (pH 8-9.5) 3.36 5.19 -57.66 1 6 -1 88 396.854 4
Hi High (pH 8-9.5) 3.36 5.76 -53.77 1 6 -1 88 396.854 4

Activity (Go SEA)

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