UCSF

ZINC66123284

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
August 19th, 2011 42 No

Popular Name: BRD-K36318598-001-02-3 BRD-K36318598-001-02-3

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) 3.98 10.25 -91.44 3 10 0 141 599.681 10 ↓
Hi High (pH 8-9.5) 3.98 10.06 -98.37 1 10 -2 141 597.665 10 ↓
Hi High (pH 8-9.5) 3.98 8.38 -67.51 2 10 -1 139 598.673 10 ↓
Mid Mid (pH 6-8) 3.98 10.21 -94.95 2 10 -1 143 598.673 10 ↓

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Rings

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

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