UCSF

ZINC06690646

Substance Information

In ZINC since Heavy atoms Benign functionality
April 15th, 2006 24 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) 2.77 8.77 -63.49 1 6 -1 87 328.392 7
Mid Mid (pH 6-8) 2.77 9.3 -60.46 2 6 0 88 329.4 7

Activity (Go SEA)

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