UCSF

ZINC30691119

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Substance Information

In ZINC since Heavy atoms Benign functionality
April 1st, 2009 33 No

Popular Name: USAN) USAN)

Find On: PubMed — Wikipedia — Google

CAS Number: 5585-59-1

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) -0.66 0.35 -57.51 5 12 -1 210 458.403 2 ↓
Ref Reference (pH 7) -0.37 2.66 -53.22 6 12 0 211 459.411 3 ↓
Mid Mid (pH 6-8) -0.66 2.29 -62.65 6 12 0 211 459.411 2 ↓
Mid Mid (pH 6-8) -0.37 0.81 -54.74 5 12 -1 210 458.403 3 ↓
Mid Mid (pH 6-8) -0.37 3.66 -83.63 5 12 -1 214 458.403 3 ↓
Mid Mid (pH 6-8) -0.37 1.82 -96.92 4 12 -2 213 457.395 3 ↓
Mid Mid (pH 6-8) -0.37 3.71 -81.54 5 12 -1 214 458.403 3 ↓
Mid Mid (pH 6-8) -0.37 1.81 -128.5 4 12 -2 213 457.395 3 ↓
Mid Mid (pH 6-8) -0.37 4.93 -181.87 4 12 -2 217 457.395 3 ↓
Mid Mid (pH 6-8) -0.66 1.34 -133.48 4 12 -2 213 457.395 2 ↓
Lo Low (pH 4.5-6) -1.10 2.28 -63.1 6 12 0 211 459.411 2 ↓

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