UCSF

ZINC37028213

Substance Information

In ZINC since Heavy atoms Benign functionality
November 19th, 2009 20 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) 1.27 5.67 -100.93 5 4 2 61 277.412 6
Hi High (pH 8-9.5) 1.45 3.89 -60.96 4 4 1 67 276.404 6
Hi High (pH 8-9.5) 1.45 3.52 -38.26 3 4 0 66 275.396 6
Hi High (pH 8-9.5) 1.27 5.33 -44.43 4 4 1 60 276.404 6

Activity (Go SEA)

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