UCSF

ZINC26165604

Substance Information

In ZINC since Heavy atoms Benign functionality
February 4th, 2009 27 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) 1.06 -2.26 -27.78 6 8 0 139 374.393 8
Hi High (pH 8-9.5) 1.06 -1.47 -64.55 5 8 -1 142 373.385 8
Hi High (pH 8-9.5) 1.06 -1.32 -64.83 5 8 -1 142 373.385 8

Activity (Go SEA)

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