UCSF

ZINC04688326

Substance Information

In ZINC since Heavy atoms Benign functionality
December 29th, 2005 23 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) 2.21 3.79 -13.41 4 6 0 100 308.341 2
Hi High (pH 8-9.5) 2.67 1.73 -62.04 3 6 -1 103 307.333 2
Hi High (pH 8-9.5) 2.67 2.04 -51.24 3 6 -1 103 307.333 2

Activity (Go SEA)

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