UCSF

ZINC03978424

Substance Information

In ZINC since Heavy atoms Benign functionality
October 28th, 2005 36 No

Other Names:

BRD-A41112154-001-02-1

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) 7.43 16.41 -57.88 0 4 -1 66 497.74 3
Lo Low (pH 4.5-6) 7.43 14.46 -9.17 1 4 0 64 498.748 3

Activity (Go SEA)

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