UCSF

ZINC56871299

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Substance Information

In ZINC since Heavy atoms Benign functionality
January 10th, 2011 39 Yes

Popular Name: 18210-71-4; C09211; Hodgkinsine 18210-71-4; C09211; Hodgkinsine

Find On: PubMed — Wikipedia — Google

CAS Number: 18210-71-4

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) 4.65 6.36 -3.65 3 6 0 46 518.709 2 ↓
Mid Mid (pH 6-8) 4.65 11.29 -101.22 5 6 2 48 520.725 2 ↓
Mid Mid (pH 6-8) 4.65 8.93 -38.82 4 6 1 47 519.717 2 ↓
Mid Mid (pH 6-8) 4.65 11.31 -109.72 5 6 2 48 520.725 2 ↓
Mid Mid (pH 6-8) 4.65 8.94 -42.18 4 6 1 47 519.717 2 ↓
Mid Mid (pH 6-8) 4.65 8.73 -36.05 4 6 1 47 519.717 2 ↓

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Rings

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

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