UCSF

ZINC00085676

Substance Information

In ZINC since Heavy atoms Benign functionality
November 21st, 2005 24 No

Other Names:

BRD-A36064725-001-01-3

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) 3.48 7.79 -42.72 1 5 -1 86 322.34 4
Mid Mid (pH 6-8) 3.48 6.31 -14.39 2 5 0 83 323.348 4
Mid Mid (pH 6-8) 3.48 6.92 -16.71 2 5 0 83 323.348 4
Mid Mid (pH 6-8) 3.48 6.93 -18.23 2 5 0 83 323.348 4

Activity (Go SEA)

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