UCSF

ZINC39051021

Substance Information

In ZINC since Heavy atoms Benign functionality
February 4th, 2010 10 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) 0.84 1.09 -21.91 1 3 0 46 139.154 2
Hi High (pH 8-9.5) 0.84 0.39 -43.27 0 3 -1 45 138.146 2
Mid Mid (pH 6-8) 0.84 -0.38 -7.85 1 3 0 42 139.154 2

Activity (Go SEA)

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