UCSF

ZINC00113359

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
September 30th, 2005 12 Yes

Popular Name: DL-PHENYLEPHRINE HYDROCHLORIDE DL-PHENYLEPHRINE HYDROCHLORIDE

Find On: PubMed — Wikipedia — Google

CAS Numbers: 13998-27-1 , 1477-63-0 , 14787-58-7 , 154-86-9 , 17162-39-9 , 59-42-7 , 61-76-7 , [154-86-9] , [614-03-9]

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) 0.41 -0.8 -42.62 4 3 1 57 168.216 3 ↓
Hi High (pH 8-9.5) 0.41 -2.29 -5.55 3 3 0 52 167.208 3 ↓

Vendor Notes

Note Type Comments Provided By
Molecular_Solubility 1.016 Bitter DB
MP 144 TCI

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

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