UCSF

ZINC19792843

Substance Information

In ZINC since Heavy atoms Benign functionality
November 10th, 2008 24 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) 3.22 7.9 -32.27 1 5 1 47 328.436 5
Hi High (pH 8-9.5) 3.22 7.56 -7.2 0 5 0 46 327.428 5
Mid Mid (pH 6-8) 3.22 10.37 -85.22 2 5 2 48 329.444 5
Mid Mid (pH 6-8) 3.22 11.47 -40.99 1 5 1 47 328.436 5

Activity (Go SEA)

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