UCSF

ZINC09242784

Substance Information

In ZINC since Heavy atoms Benign functionality
August 15th, 2007 37 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) 4.72 7.96 -16.04 3 8 0 108 519.985 7
Hi High (pH 8-9.5) 4.70 7.8 -55.02 1 8 -1 107 518.977 7
Hi High (pH 8-9.5) 4.70 7.77 -51.2 1 8 -1 107 518.977 7
Hi High (pH 8-9.5) 4.72 8.76 -45.38 2 8 -1 111 518.977 7
Mid Mid (pH 6-8) 4.72 8.73 -52.61 2 8 -1 111 518.977 7

Activity (Go SEA)

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