UCSF

ZINC43411092

Substance Information

In ZINC since Heavy atoms Benign functionality
May 13th, 2010 20 No

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) 1.13 5.58 -36.55 2 5 1 54 282.408 5
Hi High (pH 8-9.5) 1.13 4.67 -44.93 2 5 1 57 282.408 5
Hi High (pH 8-9.5) 1.13 3.57 -6.94 1 5 0 53 281.4 5
Lo Low (pH 4.5-6) 1.13 6.79 -120.68 3 5 2 58 283.416 5

Activity (Go SEA)

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