UCSF

ZINC43411254

Substance Information

In ZINC since Heavy atoms Benign functionality
May 13th, 2010 20 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) 1.60 3.75 -38.05 3 4 1 49 287.468 8
Mid Mid (pH 6-8) 1.60 4.36 -30.44 3 4 1 46 287.468 8
Lo Low (pH 4.5-6) 1.60 5.75 -110.51 4 4 2 51 288.476 8

Activity (Go SEA)

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