UCSF

ZINC06696804

Substance Information

In ZINC since Heavy atoms Benign functionality
April 16th, 2006 26 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

Vendors

    None

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) 3.18 12.35 -16.28 0 4 0 38 347.462 6
Mid Mid (pH 6-8) 3.18 12.53 -36.3 1 4 1 39 348.47 6

Activity (Go SEA)

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