UCSF

ZINC31157890

Substance Information

In ZINC since Heavy atoms Benign functionality
April 6th, 2009 23 No

Other Names:

BRD-A61228516-001-01-5

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) 3.69 10.67 -58.61 0 3 -1 57 315.433 2
Lo Low (pH 4.5-6) 3.69 8.68 -13.37 1 3 0 54 316.441 2

Activity (Go SEA)

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