UCSF

ZINC09124692

Substance Information

In ZINC since Heavy atoms Benign functionality
August 8th, 2007 33 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) 3.54 5.43 -15.16 3 8 0 108 471.941 8
Hi High (pH 8-9.5) 3.52 5.52 -57.39 1 8 -1 107 470.933 8
Hi High (pH 8-9.5) 3.52 5.92 -51.59 1 8 -1 107 470.933 8
Hi High (pH 8-9.5) 3.54 6.2 -45.16 2 8 -1 111 470.933 8
Mid Mid (pH 6-8) 3.54 6.29 -53.54 2 8 -1 111 470.933 8

Activity (Go SEA)

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