UCSF

ZINC66129622

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
August 19th, 2011 41 No

Popular Name: BRD-K82471733-001-01-1 BRD-K82471733-001-01-1

Find On: PubMed — Wikipedia — Google

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) 4.77 9.25 -80 2 8 0 102 611.708 10 ↓
Mid Mid (pH 6-8) 4.77 7.2 -56.34 1 8 -1 101 610.7 10 ↓
Lo Low (pH 4.5-6) 4.77 9.14 -65.21 3 8 1 100 612.716 10 ↓

Activity (Go SEA)

Rings

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

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