UCSF

ZINC20246578

Substance Information

In ZINC since Heavy atoms Benign functionality
November 19th, 2008 17 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) 1.05 6.56 -34.85 3 4 1 47 251.379 2
Hi High (pH 8-9.5) 1.05 4.52 -14.46 2 4 0 45 250.371 2
Lo Low (pH 4.5-6) 1.05 6.98 -97.61 4 4 2 48 252.387 2

Activity (Go SEA)

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