UCSF

ZINC38538930

Substance Information

In ZINC since Heavy atoms Benign functionality
January 26th, 2010 15 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) 1.79 3.94 -45.27 3 2 1 31 225.743 2
Lo Low (pH 4.5-6) 1.79 6.08 -121.65 4 2 2 32 226.751 2

Activity (Go SEA)

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