UCSF

ZINC41534531

Substance Information

In ZINC since Heavy atoms Benign functionality
April 20th, 2010 17 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) 1.32 5.94 -37.47 2 4 1 48 250.709 3
Mid Mid (pH 6-8) 1.32 5.48 -12.18 1 4 0 47 249.701 3

Activity (Go SEA)

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