UCSF

ZINC19328387

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
October 30th, 2008 16 Yes

Popular Name: BRD-A14784801-003-01-5 BRD-A14784801-003-01-5

Find On: PubMed — Wikipedia — Google

CAS Number: 550-99-2

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) 2.76 3.87 -6.29 1 2 0 24 210.28 2 ↓
Lo Low (pH 4.5-6) 2.76 5.33 -46.32 2 2 1 29 211.288 2 ↓

Activity (Go SEA)

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

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