UCSF

ZINC56874669

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Substance Information

In ZINC since Heavy atoms Benign functionality
January 10th, 2011 31 Yes

Popular Name: 50474-67-4; C17584; Xylostasin 50474-67-4; C17584; Xylostasin

Find On: PubMed — Wikipedia — Google

CAS Number: 50474-67-4

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) -5.46 -19.69 -235.68 17 14 3 267 457.501 6 ↓
Hi High (pH 8-9.5) -5.46 -20.15 -138.2 16 14 2 266 456.493 6 ↓
Hi High (pH 8-9.5) -5.46 -20.48 -49.8 15 14 1 264 455.485 6 ↓
Mid Mid (pH 6-8) -5.46 -19.29 -328.93 18 14 4 269 458.509 6 ↓

Activity (Go SEA)

Rings

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

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