UCSF

ZINC13327543

Substance Information

In ZINC since Heavy atoms Benign functionality
June 17th, 2008 27 Yes

Other Names:

BRD-K36034421-001-01-1

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) 4.89 6.84 -9.73 3 5 0 87 362.381 3
Hi High (pH 8-9.5) 4.89 7.83 -55.42 2 5 -1 90 361.373 3
Hi High (pH 8-9.5) 4.89 7.8 -40.85 2 5 -1 90 361.373 3

Activity (Go SEA)

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