UCSF

ZINC66157299

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
August 20th, 2011 38 No

Popular Name: BRD-K36953517-001-02-5 BRD-K36953517-001-02-5

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) 3.90 9.65 -53.98 3 8 1 100 538.69 9 ↓
Hi High (pH 8-9.5) 3.90 8.07 -52.84 1 8 -1 101 536.674 9 ↓
Hi High (pH 8-9.5) 3.90 8.23 -15.91 2 8 0 99 537.682 9 ↓
Mid Mid (pH 6-8) 3.90 9.9 -58.43 2 8 0 102 537.682 9 ↓

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Rings

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

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