UCSF

ZINC03869182

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
October 4th, 2005 21 No

Popular Name: Neodrol Neodrol

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CAS Number: 521-18-6

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) 3.43 -0.29 -6.05 1 2 0 37 290.447 0 ↓

Vendor Notes

Note Type Comments Provided By
ALOGPS_SOLUBILITY 9.98e-03 g/l DrugBank-Street Drugs

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

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