UCSF

ZINC42952438

Substance Information

In ZINC since Heavy atoms Benign functionality
May 6th, 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) 1.44 4.4 -133.67 6 4 2 75 342.281 4
Hi High (pH 8-9.5) 1.44 4.15 -45.36 5 4 1 74 341.273 4
Mid Mid (pH 6-8) 1.44 2.76 -46.59 5 4 1 74 341.273 4

Activity (Go SEA)

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