UCSF

ZINC08143614

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
July 1st, 2006 41 No

Popular Name: Ouabain Ouabain

Find On: PubMed — Wikipedia — Google

CAS Numbers: 11018-89-6 , 11018-89-6, 630-60-4 [anhydrous] , 630-60-4

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) -2.18 -13.34 -21.48 8 12 0 206 584.659 4 ↓

Vendor Notes

Note Type Comments Provided By
ALOGPS_SOLUBILITY 4.61e+00 g/l DrugBank-approved
Therapy antiarrhythmic, cardiotonic, hypertensive, Na/K ATPase inhibitor SMDC MicroSource
UniProt Database Links CDA_MYROD; SO1A1_MOUSE; SO1A4_MOUSE; SO1A4_RAT; SO4C1_HUMAN; SO4C1_MOUSE; SO4C1_PONAB; SO4C1_RAT ChEBI
PUBCHEM_PATENT_ID EP0005385A1; EP0007824A1; EP0526342A1; EP0526342B1; EP0982399A1; US4020159; US4051141; US4075215; US4075340; US4181722; US4259334; US4339384; US4377592; US4443468; US4451473; US5545623; US5912119; US5965415; WO2000075116A2 IBM Patent Data

Activity (Go SEA)

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