UCSF

ZINC06813854

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) 1.57 6.29 -57.44 1 9 -1 136 411.39 9
Mid Mid (pH 6-8) 0.99 5.97 -21.23 1 9 0 130 412.398 9
Mid Mid (pH 6-8) 2.02 4.99 -28.1 2 9 0 133 412.398 8

Activity (Go SEA)

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