UCSF

ZINC06813851

Substance Information

In ZINC since Heavy atoms Benign functionality
April 25th, 2006 30 No

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) 1.60 6.05 -58.51 1 9 -1 136 411.39 9
Mid Mid (pH 6-8) 2.04 5.02 -29.87 2 9 0 133 412.398 8
Mid Mid (pH 6-8) 1.01 6 -23.84 1 9 0 130 412.398 9

Activity (Go SEA)

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