UCSF

ZINC05734393

Substance Information

In ZINC since Heavy atoms Benign functionality
February 11th, 2006 25 Yes

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) 4.45 7.59 -10.24 2 3 0 48 328.415 1
Lo Low (pH 4.5-6) 4.77 7.63 -26.99 3 3 1 46 329.423 0
Lo Low (pH 4.5-6) 4.77 7.63 -27.03 3 3 1 46 329.423 0

Activity (Go SEA)

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