UCSF

ZINC71928213

Substance Information

In ZINC since Heavy atoms Benign functionality
February 17th, 2012 43 No

Other Names:

BRD-A80151636-066-02-2

Download: MOL2 SDF SMILES Flexibase

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) 3.60 7.58 -14.62 3 10 0 118 654.606 5
Hi High (pH 8-9.5) 3.60 8.28 -50.62 2 10 -1 121 653.598 5

Vendor Notes

Note Type Comments Provided By
Therapy prolactin inhibitor, antiparkinsonian SMDC MicroSource

Activity (Go SEA)

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

No pre-computed analogs available. Try a structural similarity search.