UCSF

ZINC14225025

Substance Information

In ZINC since Heavy atoms Benign functionality
July 5th, 2008 24 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) 1.73 1.25 -16.91 2 9 0 138 371.396 6
Hi High (pH 8-9.5) 1.73 1.36 -35.85 1 9 -1 140 370.388 6

Activity (Go SEA)

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