UCSF

ZINC04995165

Substance Information

In ZINC since Heavy atoms Benign functionality
January 14th, 2006 27 No

Other Names:

BRD-A92455874-001-01-3

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) 2.18 7.93 -49.03 2 6 1 69 369.441 2
Hi High (pH 8-9.5) 2.18 6.41 -10.09 1 6 0 68 368.433 2

Activity (Go SEA)

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