UCSF

ZINC01530648

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
October 6th, 2004 14 Yes

Popular Name: GUANETHIDINE SULFATE GUANETHIDINE SULFATE

Find On: PubMed — Wikipedia — Google

CAS Numbers: 55-65-2 , 60-02-6 , 60-02-6, 55-65-2 [guaneth , 60-02-6, 55-65-2 [guanethidine] , 645-43-2 , 645-43-2, 55-65-2 [guanethidine] , [60-02-6]

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) 1.12 5.07 -93.42 6 4 2 68 200.33 4 ↓
Hi High (pH 8-9.5) 1.12 5.08 -39.34 5 4 1 66 199.322 4 ↓

Vendor Notes

Note Type Comments Provided By
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
Therapy antihypertensive, mitotic agent SMDC MicroSource
Patent Database Links US2007207222; US2007248677; WO2007098390; WO2007103687; WO2008130332 ChEBI

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

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