UCSF

ZINC17005625

Substance Information

In ZINC since Heavy atoms Benign functionality
September 11th, 2008 18 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

None

Vendors

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) 0.15 -1.98 -11.41 4 8 0 119 251.246 1
Lo Low (pH 4.5-6) 0.15 -1.73 -33.85 5 8 1 121 252.254 1
Lo Low (pH 4.5-6) 0.15 -6.14 -29.07 5 8 1 121 252.254 1

Activity (Go SEA)

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