UCSF

ZINC21704363

Substance Information

In ZINC since Heavy atoms Benign functionality
December 8th, 2008 33 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) 3.78 11.02 -45.56 1 8 0 95 465.579 8
Hi High (pH 8-9.5) 3.78 8.8 -48.24 0 8 -1 94 464.571 8
Hi High (pH 8-9.5) 3.96 9.87 -25.91 1 8 0 88 465.579 8
Mid Mid (pH 6-8) 3.96 12.1 -66.2 2 8 1 89 466.587 8

Activity (Go SEA)

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