UCSF

ZINC19999828

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
November 14th, 2008 27 Yes

Popular Name: BRD-A47742352-001-01-1 BRD-A47742352-001-01-1

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) 2.13 11.51 -55.06 1 8 -1 111 390.782 4 ↓
Hi High (pH 8-9.5) 2.13 11.42 -114.54 0 8 -2 113 389.774 4 ↓
Mid Mid (pH 6-8) 2.13 12.16 -31.02 2 8 0 112 391.79 4 ↓
Lo Low (pH 4.5-6) 2.13 11.9 -65.53 3 8 1 113 392.798 4 ↓

Activity (Go SEA)

Rings

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

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