UCSF

ZINC66136559

Draw Identity 99% 90% 80% 70%

Substance Information

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

Popular Name: BRD-K65367821-001-02-3 BRD-K65367821-001-02-3

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) 3.81 10.18 -91.38 3 10 0 141 581.691 10 ↓
Hi High (pH 8-9.5) 3.81 9.97 -104.36 1 10 -2 141 579.675 10 ↓
Hi High (pH 8-9.5) 3.81 8.3 -70.62 2 10 -1 139 580.683 10 ↓
Mid Mid (pH 6-8) 3.81 10.14 -98.51 2 10 -1 143 580.683 10 ↓

Activity (Go SEA)

Rings

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

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